NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504234 | 2e61 | 11362 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.819 15.668 15.281 2 HA2 GLY 1 1HA GLY 1 6.012 14.203 12.975 3 HA3 GLY 1 2HA GLY 1 5.714 15.934 12.997 4 H SER 2 H SER 2 7.117 14.558 10.959 5 HA SER 2 HA SER 2 9.640 16.013 11.088 6 HB2 SER 2 1HB SER 2 9.583 13.095 10.296 7 HB3 SER 2 2HB SER 2 11.000 14.132 10.458 8 HG SER 2 HG SER 2 10.990 13.807 12.538 9 H SER 3 H SER 3 10.378 16.710 9.115 10 HA SER 3 HA SER 3 8.471 16.541 6.934 11 HB2 SER 3 1HB SER 3 9.776 18.656 7.781 12 HB3 SER 3 2HB SER 3 11.062 18.036 6.746 13 HG SER 3 HG SER 3 9.289 19.549 5.888 14 H GLY 4 H GLY 4 8.673 15.282 5.197 15 HA2 GLY 4 1HA GLY 4 10.828 13.408 5.018 16 HA3 GLY 4 2HA GLY 4 9.503 13.583 3.877 17 H SER 5 H SER 5 12.639 14.892 4.828 18 HA SER 5 HA SER 5 12.985 16.711 2.739 19 HB2 SER 5 1HB SER 5 15.330 15.154 3.751 20 HB3 SER 5 2HB SER 5 15.185 16.883 3.434 21 HG SER 5 HG SER 5 13.607 16.761 5.294 22 H SER 6 H SER 6 13.520 16.533 0.645 23 HA SER 6 HA SER 6 14.060 13.828 -0.391 24 HB2 SER 6 1HB SER 6 11.885 15.092 -1.046 25 HB3 SER 6 2HB SER 6 12.945 16.056 -2.075 26 HG SER 6 HG SER 6 12.040 14.223 -3.152 27 H GLY 7 H GLY 7 16.292 13.899 -0.315 28 HA2 GLY 7 1HA GLY 7 17.738 14.713 -2.463 29 HA3 GLY 7 2HA GLY 7 17.752 16.129 -1.422 30 H GLU 8 H GLU 8 17.685 14.394 1.004 31 HA GLU 8 HA GLU 8 20.494 14.212 1.385 32 HB2 GLU 8 1HB GLU 8 18.174 13.239 3.056 33 HB3 GLU 8 2HB GLU 8 19.852 13.144 3.571 34 HG2 GLU 8 1HG GLU 8 18.519 15.724 2.805 35 HG3 GLU 8 2HG GLU 8 18.531 15.092 4.451 36 H ILE 9 H ILE 9 21.853 12.566 1.076 37 HA ILE 9 HA ILE 9 21.053 10.242 -0.311 38 HB ILE 9 HB ILE 9 23.351 9.452 0.014 39 HG12 ILE 9 1HG1 ILE 9 24.818 11.356 1.197 40 HG13 ILE 9 2HG1 ILE 9 23.323 11.572 2.100 41 HG21 ILE 9 1HG2 ILE 9 24.504 11.349 -1.072 42 HG22 ILE 9 2HG2 ILE 9 22.929 11.002 -1.784 43 HG23 ILE 9 3HG2 ILE 9 23.119 12.373 -0.691 44 HD11 ILE 9 1HD1 ILE 9 23.751 9.796 3.345 45 HD12 ILE 9 2HD1 ILE 9 24.008 8.787 1.921 46 HD13 ILE 9 3HD1 ILE 9 25.343 9.726 2.589 47 H SER 10 H SER 10 21.444 10.961 3.072 48 HA SER 10 HA SER 10 21.347 8.176 3.867 49 HB2 SER 10 1HB SER 10 22.584 10.150 5.061 50 HB3 SER 10 2HB SER 10 21.004 10.465 5.778 51 HG SER 10 HG SER 10 22.013 9.073 7.145 52 H GLY 11 H GLY 11 19.605 7.084 4.615 53 HA2 GLY 11 1HA GLY 11 17.448 6.988 5.669 54 HA3 GLY 11 2HA GLY 11 17.099 8.578 5.006 55 H PHE 12 H PHE 12 15.412 6.300 4.799 56 HA PHE 12 HA PHE 12 15.694 5.205 2.151 57 HB2 PHE 12 1HB PHE 12 13.695 4.935 4.365 58 HB3 PHE 12 2HB PHE 12 13.262 4.403 2.743 59 HD1 PHE 12 1HD PHE 12 14.849 2.744 1.596 60 HD2 PHE 12 2HD PHE 12 14.880 3.533 5.778 61 HE1 PHE 12 1HE PHE 12 16.002 0.606 1.988 62 HE2 PHE 12 2HE PHE 12 16.033 1.397 6.177 63 HZ PHE 12 HZ PHE 12 16.596 -0.070 4.280 64 H GLY 13 H GLY 13 15.031 6.123 0.329 65 HA2 GLY 13 1HA GLY 13 13.084 8.333 0.517 66 HA3 GLY 13 2HA GLY 13 14.319 8.193 -0.725 67 H GLN 14 H GLN 14 12.589 5.352 0.207 68 HA GLN 14 HA GLN 14 11.690 4.842 -2.411 69 HB2 GLN 14 1HB GLN 14 10.944 3.648 0.254 70 HB3 GLN 14 2HB GLN 14 10.269 3.069 -1.263 71 HG2 GLN 14 1HG GLN 14 12.615 2.667 -2.043 72 HG3 GLN 14 2HG GLN 14 13.147 3.027 -0.402 73 HE21 GLN 14 1HE2 GLN 14 11.819 0.698 -2.505 74 HE22 GLN 14 2HE2 GLN 14 11.636 -0.578 -1.355 75 H CYS 15 H CYS 15 9.576 4.804 -3.272 76 HA CYS 15 HA CYS 15 7.912 6.973 -2.291 77 HB2 CYS 15 1HB CYS 15 8.077 5.398 -4.827 78 HB3 CYS 15 2HB CYS 15 6.572 6.224 -4.441 79 HG CYS 15 HG CYS 15 8.785 8.467 -3.931 80 H LEU 16 H LEU 16 5.419 6.476 -2.721 81 HA LEU 16 HA LEU 16 4.652 3.839 -1.776 82 HB2 LEU 16 1HB LEU 16 5.170 5.528 0.168 83 HB3 LEU 16 2HB LEU 16 3.573 6.154 -0.239 84 HG LEU 16 HG LEU 16 2.651 3.873 0.165 85 HD11 LEU 16 1HD1 LEU 16 5.475 3.272 0.415 86 HD12 LEU 16 2HD1 LEU 16 4.101 2.187 0.202 87 HD13 LEU 16 3HD1 LEU 16 4.551 2.732 1.818 88 HD21 LEU 16 1HD2 LEU 16 4.127 4.992 2.541 89 HD22 LEU 16 2HD2 LEU 16 2.618 4.080 2.542 90 HD23 LEU 16 3HD2 LEU 16 2.664 5.709 1.864 91 H VAL 17 H VAL 17 2.832 3.215 -2.741 92 HA VAL 17 HA VAL 17 1.035 5.293 -3.812 93 HB VAL 17 HB VAL 17 0.473 3.602 -5.618 94 HG11 VAL 17 1HG1 VAL 17 1.696 5.025 -6.804 95 HG12 VAL 17 2HG1 VAL 17 2.663 5.427 -5.383 96 HG13 VAL 17 3HG1 VAL 17 3.132 4.077 -6.417 97 HG21 VAL 17 1HG2 VAL 17 3.081 2.362 -4.749 98 HG22 VAL 17 2HG2 VAL 17 1.491 1.664 -4.445 99 HG23 VAL 17 3HG2 VAL 17 2.065 1.862 -6.101 100 H TRP 18 H TRP 18 -1.191 4.821 -3.845 101 HA TRP 18 HA TRP 18 -2.020 2.468 -2.288 102 HB2 TRP 18 1HB TRP 18 -3.045 5.293 -1.935 103 HB3 TRP 18 2HB TRP 18 -3.718 3.868 -1.148 104 HD1 TRP 18 HD TRP 18 -0.587 6.097 -1.117 105 HE1 TRP 18 1HE TRP 18 0.638 5.745 1.120 106 HE3 TRP 18 3HE TRP 18 -3.389 2.248 0.747 107 HZ2 TRP 18 2HZ TRP 18 0.442 4.059 3.375 108 HZ3 TRP 18 3HZ TRP 18 -2.804 1.322 2.950 109 HH2 TRP 18 HH TRP 18 -0.927 2.210 4.235 110 H VAL 19 H VAL 19 -3.847 1.453 -2.975 111 HA VAL 19 HA VAL 19 -5.284 2.667 -5.244 112 HB VAL 19 HB VAL 19 -5.643 0.283 -6.046 113 HG11 VAL 19 1HG1 VAL 19 -2.750 1.074 -6.121 114 HG12 VAL 19 2HG1 VAL 19 -3.731 0.337 -7.389 115 HG13 VAL 19 3HG1 VAL 19 -3.987 2.024 -6.942 116 HG21 VAL 19 1HG2 VAL 19 -4.996 -0.885 -4.023 117 HG22 VAL 19 2HG2 VAL 19 -3.941 -1.359 -5.354 118 HG23 VAL 19 3HG2 VAL 19 -3.364 -0.223 -4.134 119 H GLN 20 H GLN 20 -7.434 2.756 -5.059 120 HA GLN 20 HA GLN 20 -8.662 1.576 -2.693 121 HB2 GLN 20 1HB GLN 20 -8.973 4.012 -3.432 122 HB3 GLN 20 2HB GLN 20 -10.019 3.372 -4.693 123 HG2 GLN 20 1HG GLN 20 -11.371 2.283 -2.887 124 HG3 GLN 20 2HG GLN 20 -10.405 3.182 -1.719 125 HE21 GLN 20 1HE2 GLN 20 -12.177 4.320 -0.960 126 HE22 GLN 20 2HE2 GLN 20 -12.936 5.571 -1.879 127 H CYS 21 H CYS 21 -10.056 -0.083 -2.727 128 HA CYS 21 HA CYS 21 -10.238 -1.841 -4.847 129 HB2 CYS 21 1HB CYS 21 -10.857 -2.216 -2.393 130 HB3 CYS 21 2HB CYS 21 -12.428 -1.533 -2.799 131 H SER 22 H SER 22 -12.066 -2.448 -6.184 132 HA SER 22 HA SER 22 -13.304 -0.115 -7.370 133 HB2 SER 22 1HB SER 22 -12.476 -1.634 -8.973 134 HB3 SER 22 2HB SER 22 -13.158 -3.027 -8.133 135 HG SER 22 HG SER 22 -14.426 -2.524 -9.925 136 H PHE 23 H PHE 23 -14.192 -2.754 -5.305 137 HA PHE 23 HA PHE 23 -17.017 -2.542 -5.714 138 HB2 PHE 23 1HB PHE 23 -15.417 -3.845 -3.502 139 HB3 PHE 23 2HB PHE 23 -17.161 -3.993 -3.692 140 HD1 PHE 23 2HD PHE 23 -17.857 -4.724 -6.188 141 HD2 PHE 23 1HD PHE 23 -14.150 -5.579 -4.280 142 HE1 PHE 23 2HE PHE 23 -17.530 -6.644 -7.691 143 HE2 PHE 23 1HE PHE 23 -13.816 -7.500 -5.781 144 HZ PHE 23 HZ PHE 23 -15.507 -8.035 -7.489 145 HA PRO 24 HA PRO 24 -17.899 0.910 -3.132 146 HB2 PRO 24 1HB PRO 24 -20.484 0.349 -2.520 147 HB3 PRO 24 2HB PRO 24 -19.976 0.923 -4.113 148 HG2 PRO 24 1HG PRO 24 -20.567 -1.868 -3.205 149 HG3 PRO 24 2HG PRO 24 -21.031 -1.060 -4.714 150 HD2 PRO 24 1HD PRO 24 -18.948 -2.784 -4.565 151 HD3 PRO 24 2HD PRO 24 -18.966 -1.402 -5.679 152 H ASN 25 H ASN 25 -19.169 -2.190 -1.896 153 HA ASN 25 HA ASN 25 -19.358 -1.471 0.785 154 HB2 ASN 25 1HB ASN 25 -19.123 -3.960 1.218 155 HB3 ASN 25 2HB ASN 25 -20.390 -3.499 0.084 156 HD21 ASN 25 1HD2 ASN 25 -20.518 -4.810 -1.572 157 HD22 ASN 25 2HD2 ASN 25 -19.200 -5.614 -2.348 158 H CYS 26 H CYS 26 -16.585 -2.221 -1.134 159 HA CYS 26 HA CYS 26 -14.864 -2.672 1.158 160 HB2 CYS 26 1HB CYS 26 -14.711 -3.105 -1.710 161 HB3 CYS 26 2HB CYS 26 -13.252 -2.335 -1.095 162 H GLY 27 H GLY 27 -14.339 -0.542 -1.641 163 HA2 GLY 27 1HA GLY 27 -13.422 1.561 -1.769 164 HA3 GLY 27 2HA GLY 27 -14.458 1.919 -0.396 165 H LYS 28 H LYS 28 -11.950 -0.487 -0.185 166 HA LYS 28 HA LYS 28 -10.605 1.151 1.825 167 HB2 LYS 28 1HB LYS 28 -10.263 -1.763 1.095 168 HB3 LYS 28 2HB LYS 28 -9.415 -0.944 2.401 169 HG2 LYS 28 1HG LYS 28 -11.581 -0.486 3.483 170 HG3 LYS 28 2HG LYS 28 -12.387 -1.390 2.198 171 HD2 LYS 28 1HD LYS 28 -11.166 -3.401 2.823 172 HD3 LYS 28 2HD LYS 28 -10.296 -2.504 4.070 173 HE2 LYS 28 1HE LYS 28 -12.175 -3.843 4.964 174 HE3 LYS 28 2HE LYS 28 -12.339 -2.118 5.285 175 HZ1 LYS 28 1HZ LYS 28 -14.069 -1.916 3.824 176 HZ2 LYS 28 2HZ LYS 28 -14.341 -3.488 4.385 177 HZ3 LYS 28 3HZ LYS 28 -13.600 -3.242 2.884 178 H TRP 29 H TRP 29 -8.422 1.663 1.753 179 HA TRP 29 HA TRP 29 -7.268 1.657 -0.932 180 HB2 TRP 29 1HB TRP 29 -6.663 3.225 1.571 181 HB3 TRP 29 2HB TRP 29 -5.592 3.247 0.172 182 HD1 TRP 29 HD TRP 29 -8.895 4.613 1.431 183 HE1 TRP 29 1HE TRP 29 -9.802 6.326 -0.263 184 HE3 TRP 29 3HE TRP 29 -5.609 3.786 -2.397 185 HZ2 TRP 29 2HZ TRP 29 -9.203 7.209 -2.876 186 HZ3 TRP 29 3HZ TRP 29 -5.845 5.107 -4.459 187 HH2 TRP 29 HH TRP 29 -7.606 6.782 -4.692 188 H ARG 30 H ARG 30 -6.224 -0.215 -1.311 189 HA ARG 30 HA ARG 30 -4.705 -1.549 0.744 190 HB2 ARG 30 1HB ARG 30 -4.877 -2.144 -2.215 191 HB3 ARG 30 2HB ARG 30 -4.214 -3.206 -0.980 192 HG2 ARG 30 1HG ARG 30 -7.062 -2.266 -0.914 193 HG3 ARG 30 2HG ARG 30 -6.560 -3.705 -1.803 194 HD2 ARG 30 1HD ARG 30 -7.024 -4.727 0.157 195 HD3 ARG 30 2HD ARG 30 -5.390 -4.203 0.560 196 HE ARG 30 HE ARG 30 -6.876 -2.113 1.362 197 HH11 ARG 30 1HH1 ARG 30 -7.154 -5.538 1.920 198 HH12 ARG 30 2HH1 ARG 30 -7.892 -5.357 3.477 199 HH21 ARG 30 1HH2 ARG 30 -7.846 -1.861 3.411 200 HH22 ARG 30 2HH2 ARG 30 -8.286 -3.265 4.324 201 H ARG 31 H ARG 31 -2.446 -1.995 0.640 202 HA ARG 31 HA ARG 31 -0.935 0.182 -0.619 203 HB2 ARG 31 1HB ARG 31 -0.862 -0.432 1.927 204 HB3 ARG 31 2HB ARG 31 0.234 -1.701 1.395 205 HG2 ARG 31 1HG ARG 31 1.448 0.277 0.184 206 HG3 ARG 31 2HG ARG 31 0.602 1.252 1.388 207 HD2 ARG 31 1HD ARG 31 2.673 0.759 2.367 208 HD3 ARG 31 2HD ARG 31 1.543 -0.368 3.115 209 HE ARG 31 HE ARG 31 2.901 -1.413 0.799 210 HH11 ARG 31 1HH1 ARG 31 3.001 -0.988 4.253 211 HH12 ARG 31 2HH1 ARG 31 4.082 -2.316 4.516 212 HH21 ARG 31 1HH2 ARG 31 4.324 -3.164 1.133 213 HH22 ARG 31 2HH2 ARG 31 4.835 -3.553 2.741 214 H LEU 32 H LEU 32 0.400 -0.197 -2.267 215 HA LEU 32 HA LEU 32 0.852 -2.976 -3.073 216 HB2 LEU 32 1HB LEU 32 1.127 -0.370 -4.556 217 HB3 LEU 32 2HB LEU 32 1.605 -1.929 -5.225 218 HG LEU 32 HG LEU 32 -1.204 -1.435 -4.291 219 HD11 LEU 32 1HD1 LEU 32 0.046 -0.671 -6.914 220 HD12 LEU 32 2HD1 LEU 32 -0.920 0.325 -5.827 221 HD13 LEU 32 3HD1 LEU 32 -1.682 -0.978 -6.739 222 HD21 LEU 32 1HD2 LEU 32 0.272 -3.534 -5.702 223 HD22 LEU 32 2HD2 LEU 32 -1.257 -3.087 -6.460 224 HD23 LEU 32 3HD2 LEU 32 -1.229 -3.622 -4.779 225 H CYS 33 H CYS 33 3.052 -3.141 -4.385 226 HA CYS 33 HA CYS 33 5.117 -3.135 -2.530 227 HB2 CYS 33 1HB CYS 33 5.111 -4.507 -4.578 228 HB3 CYS 33 2HB CYS 33 5.351 -3.057 -5.546 229 HG CYS 33 HG CYS 33 7.616 -5.007 -4.464 230 H GLY 34 H GLY 34 4.972 -1.023 -5.408 231 HA2 GLY 34 1HA GLY 34 5.235 1.438 -4.328 232 HA3 GLY 34 2HA GLY 34 6.869 0.801 -4.207 233 H ASN 35 H ASN 35 6.362 -0.782 -6.733 234 HA ASN 35 HA ASN 35 6.986 1.416 -8.570 235 HB2 ASN 35 1HB ASN 35 7.783 -0.512 -10.054 236 HB3 ASN 35 2HB ASN 35 8.719 -0.188 -8.597 237 HD21 ASN 35 1HD2 ASN 35 6.126 -2.214 -9.875 238 HD22 ASN 35 2HD2 ASN 35 6.481 -3.593 -8.896 239 H ILE 36 H ILE 36 4.274 0.959 -7.836 240 HA ILE 36 HA ILE 36 3.181 0.114 -10.438 241 HB ILE 36 HB ILE 36 1.815 -0.242 -7.768 242 HG12 ILE 36 1HG1 ILE 36 3.028 -2.340 -9.579 243 HG13 ILE 36 2HG1 ILE 36 3.765 -1.756 -8.091 244 HG21 ILE 36 1HG2 ILE 36 0.644 -1.857 -9.724 245 HG22 ILE 36 2HG2 ILE 36 -0.036 -0.408 -8.985 246 HG23 ILE 36 3HG2 ILE 36 0.879 -0.284 -10.488 247 HD11 ILE 36 1HD1 ILE 36 1.073 -2.605 -7.592 248 HD12 ILE 36 2HD1 ILE 36 1.988 -3.883 -8.394 249 HD13 ILE 36 3HD1 ILE 36 2.583 -3.183 -6.889 250 H ASP 37 H ASP 37 1.677 1.420 -11.364 251 HA ASP 37 HA ASP 37 0.896 3.833 -9.862 252 HB2 ASP 37 1HB ASP 37 2.433 3.671 -12.230 253 HB3 ASP 37 2HB ASP 37 0.853 4.293 -12.698 254 HA PRO 38 HA PRO 38 -3.290 2.842 -10.744 255 HB2 PRO 38 1HB PRO 38 -4.384 5.326 -10.804 256 HB3 PRO 38 2HB PRO 38 -3.857 4.544 -9.309 257 HG2 PRO 38 1HG PRO 38 -2.447 6.594 -10.973 258 HG3 PRO 38 2HG PRO 38 -2.600 6.498 -9.209 259 HD2 PRO 38 1HD PRO 38 -0.368 5.708 -10.522 260 HD3 PRO 38 2HD PRO 38 -0.917 4.934 -9.022 261 H SER 39 H SER 39 -1.613 5.140 -12.795 262 HA SER 39 HA SER 39 -3.548 5.400 -14.816 263 HB2 SER 39 1HB SER 39 -0.590 5.819 -14.664 264 HB3 SER 39 2HB SER 39 -1.368 5.827 -16.247 265 HG SER 39 HG SER 39 -2.893 7.374 -15.112 266 H VAL 40 H VAL 40 -0.980 3.039 -14.305 267 HA VAL 40 HA VAL 40 -1.572 1.673 -16.795 268 HB VAL 40 HB VAL 40 0.168 0.058 -16.050 269 HG11 VAL 40 1HG1 VAL 40 1.917 2.163 -15.772 270 HG12 VAL 40 2HG1 VAL 40 1.345 1.489 -17.299 271 HG13 VAL 40 3HG1 VAL 40 0.541 2.893 -16.597 272 HG21 VAL 40 1HG2 VAL 40 1.420 0.389 -14.066 273 HG22 VAL 40 2HG2 VAL 40 0.647 1.943 -13.752 274 HG23 VAL 40 3HG2 VAL 40 -0.278 0.450 -13.596 275 H LEU 41 H LEU 41 -2.431 1.468 -13.456 276 HA LEU 41 HA LEU 41 -3.211 -1.264 -13.409 277 HB2 LEU 41 1HB LEU 41 -3.862 1.110 -11.692 278 HB3 LEU 41 2HB LEU 41 -4.597 -0.466 -11.408 279 HG LEU 41 HG LEU 41 -1.617 -0.177 -11.494 280 HD11 LEU 41 1HD1 LEU 41 -3.396 1.022 -9.556 281 HD12 LEU 41 2HD1 LEU 41 -1.647 1.169 -9.727 282 HD13 LEU 41 3HD1 LEU 41 -2.334 -0.175 -8.815 283 HD21 LEU 41 1HD2 LEU 41 -1.587 -2.205 -10.400 284 HD22 LEU 41 2HD2 LEU 41 -3.001 -2.384 -11.439 285 HD23 LEU 41 3HD2 LEU 41 -3.205 -1.990 -9.731 286 HA PRO 42 HA PRO 42 -7.112 -1.214 -15.421 287 HB2 PRO 42 1HB PRO 42 -8.465 -3.081 -13.988 288 HB3 PRO 42 2HB PRO 42 -7.165 -3.491 -15.113 289 HG2 PRO 42 1HG PRO 42 -7.076 -3.221 -12.133 290 HG3 PRO 42 2HG PRO 42 -6.336 -4.457 -13.167 291 HD2 PRO 42 1HD PRO 42 -4.932 -2.377 -12.151 292 HD3 PRO 42 2HD PRO 42 -4.557 -3.104 -13.727 293 H ASP 43 H ASP 43 -9.453 -0.887 -15.071 294 HA ASP 43 HA ASP 43 -9.881 1.137 -13.041 295 HB2 ASP 43 1HB ASP 43 -10.690 1.585 -15.287 296 HB3 ASP 43 2HB ASP 43 -11.663 0.117 -15.262 297 H ASN 44 H ASN 44 -10.726 -2.174 -13.643 298 HA ASN 44 HA ASN 44 -12.680 -2.163 -11.463 299 HB2 ASN 44 1HB ASN 44 -13.169 -4.490 -12.208 300 HB3 ASN 44 2HB ASN 44 -13.411 -3.291 -13.476 301 HD21 ASN 44 1HD2 ASN 44 -13.258 -5.524 -14.581 302 HD22 ASN 44 2HD2 ASN 44 -11.695 -5.935 -15.191 303 H TRP 45 H TRP 45 -9.883 -1.792 -10.894 304 HA TRP 45 HA TRP 45 -8.686 -4.199 -10.005 305 HB2 TRP 45 1HB TRP 45 -7.455 -2.069 -10.440 306 HB3 TRP 45 2HB TRP 45 -8.182 -1.397 -8.983 307 HD1 TRP 45 HD TRP 45 -5.358 -3.598 -10.152 308 HE1 TRP 45 1HE TRP 45 -3.942 -4.325 -8.129 309 HE3 TRP 45 3HE TRP 45 -8.431 -1.996 -6.394 310 HZ2 TRP 45 2HZ TRP 45 -4.107 -4.232 -5.312 311 HZ3 TRP 45 3HZ TRP 45 -7.729 -2.353 -4.063 312 HH2 TRP 45 HH TRP 45 -5.612 -3.449 -3.535 313 H SER 46 H SER 46 -8.552 -5.105 -7.958 314 HA SER 46 HA SER 46 -10.265 -3.994 -5.859 315 HB2 SER 46 1HB SER 46 -11.027 -6.441 -5.442 316 HB3 SER 46 2HB SER 46 -11.793 -5.532 -6.745 317 HG SER 46 HG SER 46 -10.953 -7.776 -7.167 318 H CYS 47 H CYS 47 -10.025 -5.533 -3.830 319 HA CYS 47 HA CYS 47 -7.375 -5.315 -2.960 320 HB2 CYS 47 1HB CYS 47 -9.508 -7.126 -1.813 321 HB3 CYS 47 2HB CYS 47 -8.088 -6.511 -0.974 322 H ASP 48 H ASP 48 -9.079 -7.921 -4.528 323 HA ASP 48 HA ASP 48 -7.286 -10.014 -3.916 324 HB2 ASP 48 1HB ASP 48 -9.456 -10.577 -4.750 325 HB3 ASP 48 2HB ASP 48 -9.214 -9.614 -6.205 326 H GLN 49 H GLN 49 -7.005 -7.311 -5.970 327 HA GLN 49 HA GLN 49 -4.887 -8.558 -7.563 328 HB2 GLN 49 1HB GLN 49 -6.391 -5.960 -7.840 329 HB3 GLN 49 2HB GLN 49 -4.969 -6.335 -8.804 330 HG2 GLN 49 1HG GLN 49 -6.066 -8.217 -9.800 331 HG3 GLN 49 2HG GLN 49 -7.451 -8.033 -8.724 332 HE21 GLN 49 1HE2 GLN 49 -9.134 -7.253 -9.751 333 HE22 GLN 49 2HE2 GLN 49 -9.112 -6.046 -10.986 334 H ASN 50 H ASN 50 -4.643 -7.826 -4.694 335 HA ASN 50 HA ASN 50 -2.725 -5.630 -4.752 336 HB2 ASN 50 1HB ASN 50 -4.562 -6.137 -2.920 337 HB3 ASN 50 2HB ASN 50 -3.311 -7.195 -2.274 338 HD21 ASN 50 1HD2 ASN 50 -2.499 -6.189 -0.576 339 HD22 ASN 50 2HD2 ASN 50 -1.942 -4.554 -0.542 340 H THR 51 H THR 51 -0.585 -5.848 -3.925 341 HA THR 51 HA THR 51 0.594 -8.430 -4.577 342 HB THR 51 HB THR 51 2.751 -7.280 -4.471 343 HG1 THR 51 1HG THR 51 1.314 -4.889 -3.918 344 HG21 THR 51 1HG2 THR 51 2.447 -5.761 -6.343 345 HG22 THR 51 2HG2 THR 51 0.718 -5.662 -6.011 346 HG23 THR 51 3HG2 THR 51 1.426 -7.183 -6.553 347 H ASP 52 H ASP 52 -0.190 -6.518 -1.821 348 HA ASP 52 HA ASP 52 1.620 -7.965 -0.063 349 HB2 ASP 52 1HB ASP 52 1.051 -5.473 0.147 350 HB3 ASP 52 2HB ASP 52 -0.499 -6.003 0.795 351 H VAL 53 H VAL 53 1.036 -9.974 0.450 352 HA VAL 53 HA VAL 53 -1.513 -11.068 0.316 353 HB VAL 53 HB VAL 53 -0.675 -12.915 1.661 354 HG11 VAL 53 1HG1 VAL 53 0.196 -13.459 -0.322 355 HG12 VAL 53 2HG1 VAL 53 0.748 -11.810 -0.626 356 HG13 VAL 53 3HG1 VAL 53 1.736 -12.908 0.338 357 HG21 VAL 53 1HG2 VAL 53 1.553 -11.004 2.313 358 HG22 VAL 53 2HG2 VAL 53 0.483 -11.859 3.425 359 HG23 VAL 53 3HG2 VAL 53 1.708 -12.749 2.520 360 H GLN 54 H GLN 54 -0.054 -9.132 2.787 361 HA GLN 54 HA GLN 54 -1.718 -9.871 4.950 362 HB2 GLN 54 1HB GLN 54 -0.396 -7.192 4.506 363 HB3 GLN 54 2HB GLN 54 -0.911 -7.877 6.042 364 HG2 GLN 54 1HG GLN 54 0.759 -9.803 5.284 365 HG3 GLN 54 2HG GLN 54 1.485 -8.456 4.409 366 HE21 GLN 54 1HE2 GLN 54 2.112 -10.134 6.922 367 HE22 GLN 54 2HE2 GLN 54 2.593 -8.941 8.075 368 H TYR 55 H TYR 55 -2.220 -7.887 2.180 369 HA TYR 55 HA TYR 55 -4.944 -7.344 3.073 370 HB2 TYR 55 1HB TYR 55 -3.091 -5.178 2.058 371 HB3 TYR 55 2HB TYR 55 -4.808 -4.981 2.391 372 HD1 TYR 55 1HD TYR 55 -1.501 -5.550 3.922 373 HD2 TYR 55 2HD TYR 55 -5.606 -4.678 4.622 374 HE1 TYR 55 1HE TYR 55 -0.974 -4.969 6.253 375 HE2 TYR 55 2HE TYR 55 -5.090 -4.093 6.955 376 HH TYR 55 HH TYR 55 -3.462 -4.379 8.607 377 H ASN 56 H ASN 56 -4.470 -9.246 1.311 378 HA ASN 56 HA ASN 56 -4.911 -8.046 -1.342 379 HB2 ASN 56 1HB ASN 56 -3.918 -9.902 -2.339 380 HB3 ASN 56 2HB ASN 56 -2.950 -9.697 -0.882 381 HD21 ASN 56 1HD2 ASN 56 -3.403 -11.072 0.928 382 HD22 ASN 56 2HD2 ASN 56 -4.071 -12.645 0.668 383 H ARG 57 H ARG 57 -6.861 -8.575 0.891 384 HA ARG 57 HA ARG 57 -8.781 -10.112 -0.719 385 HB2 ARG 57 1HB ARG 57 -8.487 -10.293 2.285 386 HB3 ARG 57 2HB ARG 57 -9.697 -11.121 1.314 387 HG2 ARG 57 1HG ARG 57 -7.055 -11.696 0.334 388 HG3 ARG 57 2HG ARG 57 -7.179 -12.060 2.057 389 HD2 ARG 57 1HD ARG 57 -9.233 -13.366 1.580 390 HD3 ARG 57 2HD ARG 57 -8.975 -13.078 -0.140 391 HE ARG 57 HE ARG 57 -6.721 -14.274 1.182 392 HH11 ARG 57 1HH1 ARG 57 -9.755 -14.877 -0.416 393 HH12 ARG 57 2HH1 ARG 57 -9.342 -16.496 -0.872 394 HH21 ARG 57 1HH2 ARG 57 -6.166 -16.405 0.588 395 HH22 ARG 57 2HH2 ARG 57 -7.301 -17.365 -0.300 396 H CYS 58 H CYS 58 -11.015 -9.574 -0.334 397 HA CYS 58 HA CYS 58 -11.357 -6.750 0.179 398 HB2 CYS 58 1HB CYS 58 -13.177 -8.931 -0.823 399 HB3 CYS 58 2HB CYS 58 -13.790 -7.329 -0.423 400 H ASP 59 H ASP 59 -11.208 -9.352 2.140 401 HA ASP 59 HA ASP 59 -13.350 -8.474 3.938 402 HB2 ASP 59 1HB ASP 59 -12.800 -10.968 3.234 403 HB3 ASP 59 2HB ASP 59 -11.628 -10.837 4.542 404 H ILE 60 H ILE 60 -9.919 -8.483 3.558 405 HA ILE 60 HA ILE 60 -9.189 -8.119 6.272 406 HB ILE 60 HB ILE 60 -7.725 -7.274 3.769 407 HG12 ILE 60 1HG1 ILE 60 -7.101 -9.662 5.486 408 HG13 ILE 60 2HG1 ILE 60 -8.303 -9.765 4.203 409 HG21 ILE 60 1HG2 ILE 60 -6.718 -7.571 6.596 410 HG22 ILE 60 2HG2 ILE 60 -5.733 -7.198 5.182 411 HG23 ILE 60 3HG2 ILE 60 -6.953 -6.050 5.734 412 HD11 ILE 60 1HD1 ILE 60 -6.353 -8.742 2.764 413 HD12 ILE 60 2HD1 ILE 60 -5.359 -9.465 4.029 414 HD13 ILE 60 3HD1 ILE 60 -6.456 -10.473 3.085 415 HA PRO 61 HA PRO 61 -10.538 -3.944 6.852 416 HB2 PRO 61 1HB PRO 61 -9.202 -3.472 9.167 417 HB3 PRO 61 2HB PRO 61 -10.660 -4.467 9.086 418 HG2 PRO 61 1HG PRO 61 -7.791 -5.315 9.178 419 HG3 PRO 61 2HG PRO 61 -9.184 -5.988 10.044 420 HD2 PRO 61 1HD PRO 61 -8.158 -7.138 7.818 421 HD3 PRO 61 2HD PRO 61 -9.886 -7.211 8.221 422 H GLU 62 H GLU 62 -9.616 -1.778 7.107 423 HA GLU 62 HA GLU 62 -7.265 -1.463 5.488 424 HB2 GLU 62 1HB GLU 62 -9.040 0.533 6.898 425 HB3 GLU 62 2HB GLU 62 -7.675 0.988 5.888 426 HG2 GLU 62 1HG GLU 62 -8.700 0.127 3.945 427 HG3 GLU 62 2HG GLU 62 -9.940 -0.705 4.881 428 H GLU 63 H GLU 63 -5.393 -0.207 6.105 429 HA GLU 63 HA GLU 63 -4.187 -1.098 8.464 430 HB2 GLU 63 1HB GLU 63 -3.197 -0.047 6.252 431 HB3 GLU 63 2HB GLU 63 -3.268 1.441 7.185 432 HG2 GLU 63 1HG GLU 63 -1.920 0.346 8.948 433 HG3 GLU 63 2HG GLU 63 -1.770 -1.067 7.904 434 H THR 64 H THR 64 -4.728 -0.584 10.471 435 HA THR 64 HA THR 64 -6.359 1.490 11.288 436 HB THR 64 HB THR 64 -4.252 0.684 13.211 437 HG1 THR 64 1HG THR 64 -6.088 -1.155 12.039 438 HG21 THR 64 1HG2 THR 64 -7.272 0.713 13.279 439 HG22 THR 64 2HG2 THR 64 -6.197 1.941 13.948 440 HG23 THR 64 3HG2 THR 64 -6.228 0.321 14.644 441 H TRP 65 H TRP 65 -5.983 3.489 12.308 442 HA TRP 65 HA TRP 65 -3.916 5.043 11.152 443 HB2 TRP 65 1HB TRP 65 -6.070 5.527 13.164 444 HB3 TRP 65 2HB TRP 65 -4.765 6.703 13.033 445 HD1 TRP 65 HD TRP 65 -7.045 4.886 10.449 446 HE1 TRP 65 1HE TRP 65 -7.841 6.639 8.741 447 HE3 TRP 65 3HE TRP 65 -4.677 9.001 12.346 448 HZ2 TRP 65 2HZ TRP 65 -7.509 9.401 8.261 449 HZ3 TRP 65 3HZ TRP 65 -4.967 11.160 11.202 450 HH2 TRP 65 HH TRP 65 -6.354 11.354 9.202 451 H THR 66 H THR 66 -1.853 5.059 11.721 452 HA THR 66 HA THR 66 -1.142 4.412 14.502 453 HB THR 66 HB THR 66 -0.137 2.880 12.922 454 HG1 THR 66 1HG THR 66 1.931 3.091 13.665 455 HG21 THR 66 1HG2 THR 66 0.199 5.271 11.348 456 HG22 THR 66 2HG2 THR 66 0.334 3.582 10.858 457 HG23 THR 66 3HG2 THR 66 1.735 4.423 11.520 458 H GLY 67 H GLY 67 0.359 5.679 15.625 459 HA2 GLY 67 1HA GLY 67 1.897 7.763 14.764 460 HA3 GLY 67 2HA GLY 67 0.299 8.471 14.944 461 H LEU 68 H LEU 68 3.163 8.040 16.465 462 HA LEU 68 HA LEU 68 2.290 7.459 19.123 463 HB2 LEU 68 1HB LEU 68 4.629 7.178 18.096 464 HB3 LEU 68 2HB LEU 68 4.826 8.899 18.420 465 HG LEU 68 HG LEU 68 4.135 8.169 20.861 466 HD11 LEU 68 1HD1 LEU 68 4.833 5.987 21.473 467 HD12 LEU 68 2HD1 LEU 68 5.487 5.671 19.866 468 HD13 LEU 68 3HD1 LEU 68 3.744 5.806 20.098 469 HD21 LEU 68 1HD2 LEU 68 6.171 9.221 20.670 470 HD22 LEU 68 2HD2 LEU 68 6.776 8.073 19.475 471 HD23 LEU 68 3HD2 LEU 68 6.670 7.605 21.172 472 H GLU 69 H GLU 69 1.941 8.839 20.836 473 HA GLU 69 HA GLU 69 0.989 11.459 20.164 474 HB2 GLU 69 1HB GLU 69 0.455 11.626 22.574 475 HB3 GLU 69 2HB GLU 69 -0.182 10.162 21.840 476 HG2 GLU 69 1HG GLU 69 1.383 8.801 22.900 477 HG3 GLU 69 2HG GLU 69 2.445 10.158 23.273 Start of MODEL 2 1 H1 GLY 1 H GLY 1 31.264 -8.560 9.426 2 HA2 GLY 1 1HA GLY 1 32.389 -10.577 9.663 3 HA3 GLY 1 2HA GLY 1 31.223 -11.049 10.890 4 H SER 2 H SER 2 30.734 -10.083 7.507 5 HA SER 2 HA SER 2 29.834 -12.802 6.891 6 HB2 SER 2 1HB SER 2 28.209 -10.282 6.557 7 HB3 SER 2 2HB SER 2 27.870 -11.748 5.637 8 HG SER 2 HG SER 2 26.635 -11.627 7.565 9 H SER 3 H SER 3 30.676 -13.497 5.044 10 HA SER 3 HA SER 3 31.723 -11.499 3.151 11 HB2 SER 3 1HB SER 3 33.248 -13.266 4.358 12 HB3 SER 3 2HB SER 3 32.608 -14.363 3.134 13 HG SER 3 HG SER 3 34.395 -13.485 2.230 14 H GLY 4 H GLY 4 30.447 -11.233 1.445 15 HA2 GLY 4 1HA GLY 4 29.715 -12.179 -0.666 16 HA3 GLY 4 2HA GLY 4 29.277 -13.641 0.205 17 H SER 5 H SER 5 27.505 -12.383 -1.512 18 HA SER 5 HA SER 5 25.336 -11.707 -1.630 19 HB2 SER 5 1HB SER 5 25.192 -12.074 1.364 20 HB3 SER 5 2HB SER 5 23.878 -12.189 0.194 21 HG SER 5 HG SER 5 24.361 -14.251 0.383 22 H SER 6 H SER 6 27.137 -9.689 -1.622 23 HA SER 6 HA SER 6 26.139 -7.673 0.258 24 HB2 SER 6 1HB SER 6 28.067 -6.324 -0.452 25 HB3 SER 6 2HB SER 6 28.583 -7.921 0.093 26 HG SER 6 HG SER 6 29.348 -6.924 -2.062 27 H GLY 7 H GLY 7 24.805 -6.094 -0.363 28 HA2 GLY 7 1HA GLY 7 24.700 -5.278 -3.162 29 HA3 GLY 7 2HA GLY 7 23.233 -5.984 -2.500 30 H GLU 8 H GLU 8 25.551 -3.345 -2.083 31 HA GLU 8 HA GLU 8 23.921 -1.903 -0.236 32 HB2 GLU 8 1HB GLU 8 26.411 -1.672 -0.441 33 HB3 GLU 8 2HB GLU 8 26.155 -0.831 -1.964 34 HG2 GLU 8 1HG GLU 8 26.549 0.633 0.027 35 HG3 GLU 8 2HG GLU 8 25.088 0.984 -0.894 36 H ILE 9 H ILE 9 21.914 -1.437 -0.987 37 HA ILE 9 HA ILE 9 21.413 -0.520 -3.646 38 HB ILE 9 HB ILE 9 19.121 -0.148 -2.910 39 HG12 ILE 9 1HG1 ILE 9 19.294 -1.170 -0.227 40 HG13 ILE 9 2HG1 ILE 9 20.332 0.243 -0.386 41 HG21 ILE 9 1HG2 ILE 9 19.889 -2.691 -1.554 42 HG22 ILE 9 2HG2 ILE 9 18.562 -2.364 -2.668 43 HG23 ILE 9 3HG2 ILE 9 20.212 -2.498 -3.277 44 HD11 ILE 9 1HD1 ILE 9 17.464 0.075 -0.212 45 HD12 ILE 9 2HD1 ILE 9 18.525 1.475 -0.057 46 HD13 ILE 9 3HD1 ILE 9 17.968 0.962 -1.650 47 H SER 10 H SER 10 20.711 1.543 -4.307 48 HA SER 10 HA SER 10 21.840 3.714 -2.701 49 HB2 SER 10 1HB SER 10 21.398 5.016 -4.900 50 HB3 SER 10 2HB SER 10 22.701 3.827 -4.879 51 HG SER 10 HG SER 10 21.684 2.791 -6.383 52 H GLY 11 H GLY 11 20.667 5.435 -1.973 53 HA2 GLY 11 1HA GLY 11 18.822 6.772 -1.560 54 HA3 GLY 11 2HA GLY 11 17.952 5.893 -2.808 55 H PHE 12 H PHE 12 17.564 6.708 0.192 56 HA PHE 12 HA PHE 12 16.669 4.064 1.124 57 HB2 PHE 12 1HB PHE 12 17.543 6.538 2.589 58 HB3 PHE 12 2HB PHE 12 16.537 5.333 3.385 59 HD1 PHE 12 1HD PHE 12 17.484 2.808 2.789 60 HD2 PHE 12 2HD PHE 12 19.755 6.392 3.132 61 HE1 PHE 12 1HE PHE 12 19.489 1.483 3.319 62 HE2 PHE 12 2HE PHE 12 21.763 5.072 3.662 63 HZ PHE 12 HZ PHE 12 21.632 2.615 3.756 64 H GLY 13 H GLY 13 15.190 5.641 -0.771 65 HA2 GLY 13 1HA GLY 13 12.781 6.168 0.856 66 HA3 GLY 13 2HA GLY 13 13.241 7.224 -0.471 67 H GLN 14 H GLN 14 10.899 5.327 0.148 68 HA GLN 14 HA GLN 14 10.978 3.859 -2.405 69 HB2 GLN 14 1HB GLN 14 9.240 2.377 -1.387 70 HB3 GLN 14 2HB GLN 14 10.806 2.301 -0.592 71 HG2 GLN 14 1HG GLN 14 10.027 3.655 1.217 72 HG3 GLN 14 2HG GLN 14 8.503 3.967 0.387 73 HE21 GLN 14 1HE2 GLN 14 9.056 2.763 3.010 74 HE22 GLN 14 2HE2 GLN 14 8.287 1.216 2.984 75 H CYS 15 H CYS 15 8.770 3.523 -3.382 76 HA CYS 15 HA CYS 15 7.461 6.098 -3.561 77 HB2 CYS 15 1HB CYS 15 7.193 3.513 -5.086 78 HB3 CYS 15 2HB CYS 15 6.086 4.857 -5.336 79 HG CYS 15 HG CYS 15 7.542 5.900 -7.164 80 H LEU 16 H LEU 16 5.598 6.649 -2.629 81 HA LEU 16 HA LEU 16 4.147 4.587 -1.129 82 HB2 LEU 16 1HB LEU 16 4.501 7.529 -0.826 83 HB3 LEU 16 2HB LEU 16 3.034 6.783 -0.195 84 HG LEU 16 HG LEU 16 4.748 7.076 1.533 85 HD11 LEU 16 1HD1 LEU 16 4.911 4.256 1.609 86 HD12 LEU 16 2HD1 LEU 16 3.361 4.679 0.883 87 HD13 LEU 16 3HD1 LEU 16 3.792 5.313 2.471 88 HD21 LEU 16 1HD2 LEU 16 6.797 5.767 1.476 89 HD22 LEU 16 2HD2 LEU 16 6.722 6.865 0.098 90 HD23 LEU 16 3HD2 LEU 16 6.376 5.149 -0.121 91 H VAL 17 H VAL 17 2.935 3.733 -2.843 92 HA VAL 17 HA VAL 17 0.913 5.554 -3.977 93 HB VAL 17 HB VAL 17 0.646 3.815 -5.772 94 HG11 VAL 17 1HG1 VAL 17 3.068 5.487 -5.366 95 HG12 VAL 17 2HG1 VAL 17 3.045 4.379 -6.739 96 HG13 VAL 17 3HG1 VAL 17 1.795 5.614 -6.579 97 HG21 VAL 17 1HG2 VAL 17 2.079 2.024 -5.999 98 HG22 VAL 17 2HG2 VAL 17 3.330 2.758 -4.994 99 HG23 VAL 17 3HG2 VAL 17 1.879 2.089 -4.248 100 H TRP 18 H TRP 18 -1.234 4.986 -3.911 101 HA TRP 18 HA TRP 18 -1.905 2.532 -2.428 102 HB2 TRP 18 1HB TRP 18 -3.184 5.256 -2.108 103 HB3 TRP 18 2HB TRP 18 -3.741 3.777 -1.330 104 HD1 TRP 18 HD TRP 18 -0.681 6.139 -1.328 105 HE1 TRP 18 1HE TRP 18 0.462 5.962 0.971 106 HE3 TRP 18 3HE TRP 18 -3.514 2.398 0.702 107 HZ2 TRP 18 2HZ TRP 18 0.199 4.438 3.333 108 HZ3 TRP 18 3HZ TRP 18 -3.002 1.638 2.985 109 HH2 TRP 18 HH TRP 18 -1.184 2.638 4.272 110 H VAL 19 H VAL 19 -4.092 1.733 -2.804 111 HA VAL 19 HA VAL 19 -5.364 2.688 -5.262 112 HB VAL 19 HB VAL 19 -5.645 0.267 -5.981 113 HG11 VAL 19 1HG1 VAL 19 -3.467 0.205 -7.102 114 HG12 VAL 19 2HG1 VAL 19 -4.175 1.820 -7.147 115 HG13 VAL 19 3HG1 VAL 19 -2.873 1.458 -6.013 116 HG21 VAL 19 1HG2 VAL 19 -3.949 -1.315 -5.203 117 HG22 VAL 19 2HG2 VAL 19 -3.354 -0.117 -4.054 118 HG23 VAL 19 3HG2 VAL 19 -4.979 -0.778 -3.877 119 H GLN 20 H GLN 20 -7.498 2.813 -5.033 120 HA GLN 20 HA GLN 20 -8.733 1.617 -2.683 121 HB2 GLN 20 1HB GLN 20 -9.070 4.041 -3.379 122 HB3 GLN 20 2HB GLN 20 -10.050 3.426 -4.703 123 HG2 GLN 20 1HG GLN 20 -11.468 2.274 -2.980 124 HG3 GLN 20 2HG GLN 20 -10.577 3.179 -1.757 125 HE21 GLN 20 1HE2 GLN 20 -12.266 4.392 -1.037 126 HE22 GLN 20 2HE2 GLN 20 -13.057 5.593 -1.994 127 H CYS 21 H CYS 21 -10.071 -0.080 -2.724 128 HA CYS 21 HA CYS 21 -10.244 -1.824 -4.853 129 HB2 CYS 21 1HB CYS 21 -10.839 -2.237 -2.405 130 HB3 CYS 21 2HB CYS 21 -12.418 -1.554 -2.779 131 H SER 22 H SER 22 -12.030 -2.434 -6.219 132 HA SER 22 HA SER 22 -13.315 -0.123 -7.380 133 HB2 SER 22 1HB SER 22 -12.557 -1.571 -9.038 134 HB3 SER 22 2HB SER 22 -13.042 -3.011 -8.143 135 HG SER 22 HG SER 22 -14.370 -1.863 -10.056 136 H PHE 23 H PHE 23 -14.183 -2.802 -5.345 137 HA PHE 23 HA PHE 23 -17.007 -2.600 -5.727 138 HB2 PHE 23 1HB PHE 23 -15.383 -3.889 -3.525 139 HB3 PHE 23 2HB PHE 23 -17.127 -4.048 -3.698 140 HD1 PHE 23 1HD PHE 23 -17.837 -4.776 -6.196 141 HD2 PHE 23 2HD PHE 23 -14.121 -5.627 -4.304 142 HE1 PHE 23 1HE PHE 23 -17.514 -6.695 -7.702 143 HE2 PHE 23 2HE PHE 23 -13.791 -7.547 -5.807 144 HZ PHE 23 HZ PHE 23 -15.489 -8.083 -7.509 145 HA PRO 24 HA PRO 24 -17.904 0.850 -3.147 146 HB2 PRO 24 1HB PRO 24 -20.487 0.277 -2.540 147 HB3 PRO 24 2HB PRO 24 -19.980 0.855 -4.132 148 HG2 PRO 24 1HG PRO 24 -20.560 -1.939 -3.228 149 HG3 PRO 24 2HG PRO 24 -21.025 -1.132 -4.736 150 HD2 PRO 24 1HD PRO 24 -18.935 -2.846 -4.586 151 HD3 PRO 24 2HD PRO 24 -18.957 -1.463 -5.699 152 H ASN 25 H ASN 25 -19.159 -2.258 -1.918 153 HA ASN 25 HA ASN 25 -19.357 -1.544 0.764 154 HB2 ASN 25 1HB ASN 25 -18.696 -4.265 -0.385 155 HB3 ASN 25 2HB ASN 25 -19.296 -3.956 1.242 156 HD21 ASN 25 1HD2 ASN 25 -20.515 -5.626 -0.690 157 HD22 ASN 25 2HD2 ASN 25 -22.062 -4.955 -1.063 158 H CYS 26 H CYS 26 -16.577 -2.270 -1.151 159 HA CYS 26 HA CYS 26 -14.857 -2.721 1.141 160 HB2 CYS 26 1HB CYS 26 -14.694 -3.131 -1.731 161 HB3 CYS 26 2HB CYS 26 -13.241 -2.361 -1.104 162 H GLY 27 H GLY 27 -14.337 -0.572 -1.644 163 HA2 GLY 27 1HA GLY 27 -13.433 1.538 -1.756 164 HA3 GLY 27 2HA GLY 27 -14.479 1.882 -0.386 165 H LYS 28 H LYS 28 -11.951 -0.506 -0.181 166 HA LYS 28 HA LYS 28 -10.626 1.132 1.843 167 HB2 LYS 28 1HB LYS 28 -10.261 -1.778 1.108 168 HB3 LYS 28 2HB LYS 28 -9.432 -0.957 2.423 169 HG2 LYS 28 1HG LYS 28 -11.610 -0.518 3.487 170 HG3 LYS 28 2HG LYS 28 -12.398 -1.425 2.193 171 HD2 LYS 28 1HD LYS 28 -11.130 -3.421 2.822 172 HD3 LYS 28 2HD LYS 28 -10.334 -2.513 4.110 173 HE2 LYS 28 1HE LYS 28 -12.215 -3.912 4.911 174 HE3 LYS 28 2HE LYS 28 -12.429 -2.196 5.249 175 HZ1 LYS 28 1HZ LYS 28 -14.412 -3.459 4.335 176 HZ2 LYS 28 2HZ LYS 28 -13.603 -3.462 2.850 177 HZ3 LYS 28 3HZ LYS 28 -14.027 -1.996 3.579 178 H TRP 29 H TRP 29 -8.429 1.622 1.795 179 HA TRP 29 HA TRP 29 -7.268 1.640 -0.890 180 HB2 TRP 29 1HB TRP 29 -6.654 3.194 1.622 181 HB3 TRP 29 2HB TRP 29 -5.613 3.243 0.201 182 HD1 TRP 29 HD TRP 29 -8.921 4.540 1.533 183 HE1 TRP 29 1HE TRP 29 -9.873 6.269 -0.119 184 HE3 TRP 29 3HE TRP 29 -5.665 3.837 -2.345 185 HZ2 TRP 29 2HZ TRP 29 -9.318 7.209 -2.722 186 HZ3 TRP 29 3HZ TRP 29 -5.945 5.190 -4.381 187 HH2 TRP 29 HH TRP 29 -7.734 6.841 -4.564 188 H ARG 30 H ARG 30 -6.217 -0.229 -1.265 189 HA ARG 30 HA ARG 30 -4.706 -1.565 0.794 190 HB2 ARG 30 1HB ARG 30 -4.850 -2.149 -2.170 191 HB3 ARG 30 2HB ARG 30 -4.199 -3.215 -0.931 192 HG2 ARG 30 1HG ARG 30 -7.049 -2.277 -0.890 193 HG3 ARG 30 2HG ARG 30 -6.536 -3.712 -1.782 194 HD2 ARG 30 1HD ARG 30 -7.013 -4.748 0.166 195 HD3 ARG 30 2HD ARG 30 -5.389 -4.213 0.595 196 HE ARG 30 HE ARG 30 -6.903 -2.139 1.385 197 HH11 ARG 30 1HH1 ARG 30 -7.162 -5.568 1.924 198 HH12 ARG 30 2HH1 ARG 30 -7.924 -5.400 3.471 199 HH21 ARG 30 1HH2 ARG 30 -7.905 -1.904 3.420 200 HH22 ARG 30 2HH2 ARG 30 -8.347 -3.315 4.320 201 H ARG 31 H ARG 31 -2.424 -2.165 0.485 202 HA ARG 31 HA ARG 31 -0.909 0.133 -0.524 203 HB2 ARG 31 1HB ARG 31 -0.568 -0.503 1.832 204 HB3 ARG 31 2HB ARG 31 -0.047 -2.102 1.321 205 HG2 ARG 31 1HG ARG 31 1.953 -1.023 1.700 206 HG3 ARG 31 2HG ARG 31 1.741 -0.818 -0.040 207 HD2 ARG 31 1HD ARG 31 2.267 1.327 0.536 208 HD3 ARG 31 2HD ARG 31 0.515 1.391 0.728 209 HE ARG 31 HE ARG 31 0.807 1.661 2.984 210 HH11 ARG 31 1HH1 ARG 31 3.790 0.561 1.566 211 HH12 ARG 31 2HH1 ARG 31 4.713 0.788 3.014 212 HH21 ARG 31 1HH2 ARG 31 2.012 1.966 4.896 213 HH22 ARG 31 2HH2 ARG 31 3.701 1.587 4.908 214 H LEU 32 H LEU 32 0.672 -0.053 -2.050 215 HA LEU 32 HA LEU 32 0.931 -2.688 -3.342 216 HB2 LEU 32 1HB LEU 32 0.997 0.090 -4.488 217 HB3 LEU 32 2HB LEU 32 1.568 -1.319 -5.379 218 HG LEU 32 HG LEU 32 -1.250 -0.835 -4.413 219 HD11 LEU 32 1HD1 LEU 32 -1.146 0.488 -6.261 220 HD12 LEU 32 2HD1 LEU 32 -1.488 -1.055 -7.042 221 HD13 LEU 32 3HD1 LEU 32 0.164 -0.439 -6.992 222 HD21 LEU 32 1HD2 LEU 32 -1.773 -2.872 -5.722 223 HD22 LEU 32 2HD2 LEU 32 -0.759 -3.190 -4.314 224 HD23 LEU 32 3HD2 LEU 32 -0.043 -3.148 -5.925 225 H CYS 33 H CYS 33 3.050 -2.492 -4.877 226 HA CYS 33 HA CYS 33 5.235 -2.326 -2.995 227 HB2 CYS 33 1HB CYS 33 5.181 -3.104 -5.918 228 HB3 CYS 33 2HB CYS 33 6.590 -3.225 -4.871 229 HG CYS 33 HG CYS 33 5.066 -5.704 -5.466 230 H GLY 34 H GLY 34 7.398 -1.498 -4.239 231 HA2 GLY 34 1HA GLY 34 6.897 1.351 -4.595 232 HA3 GLY 34 2HA GLY 34 8.464 0.589 -4.361 233 H ASN 35 H ASN 35 7.567 -1.399 -6.535 234 HA ASN 35 HA ASN 35 8.479 0.270 -8.765 235 HB2 ASN 35 1HB ASN 35 8.451 -2.730 -8.385 236 HB3 ASN 35 2HB ASN 35 8.948 -1.935 -9.875 237 HD21 ASN 35 1HD2 ASN 35 9.599 -1.878 -6.392 238 HD22 ASN 35 2HD2 ASN 35 11.303 -1.633 -6.541 239 H ILE 36 H ILE 36 5.740 0.365 -7.853 240 HA ILE 36 HA ILE 36 4.430 -0.521 -10.331 241 HB ILE 36 HB ILE 36 3.199 -0.725 -7.580 242 HG12 ILE 36 1HG1 ILE 36 4.070 -2.911 -9.482 243 HG13 ILE 36 2HG1 ILE 36 4.925 -2.446 -8.015 244 HG21 ILE 36 1HG2 ILE 36 2.062 -0.621 -10.215 245 HG22 ILE 36 2HG2 ILE 36 1.725 -2.180 -9.465 246 HG23 ILE 36 3HG2 ILE 36 1.253 -0.689 -8.650 247 HD11 ILE 36 1HD1 ILE 36 2.397 -2.936 -7.096 248 HD12 ILE 36 2HD1 ILE 36 2.591 -4.145 -8.366 249 HD13 ILE 36 3HD1 ILE 36 3.752 -4.063 -7.040 250 H ASP 37 H ASP 37 3.176 0.974 -11.281 251 HA ASP 37 HA ASP 37 2.718 3.486 -9.814 252 HB2 ASP 37 1HB ASP 37 3.894 3.000 -12.346 253 HB3 ASP 37 2HB ASP 37 2.352 3.799 -12.639 254 HA PRO 38 HA PRO 38 -1.628 2.930 -10.102 255 HB2 PRO 38 1HB PRO 38 -2.452 5.514 -10.206 256 HB3 PRO 38 2HB PRO 38 -1.821 4.765 -8.735 257 HG2 PRO 38 1HG PRO 38 -0.429 6.541 -10.702 258 HG3 PRO 38 2HG PRO 38 -0.362 6.566 -8.930 259 HD2 PRO 38 1HD PRO 38 1.585 5.451 -10.447 260 HD3 PRO 38 2HD PRO 38 1.155 4.833 -8.838 261 H SER 39 H SER 39 0.098 4.675 -12.554 262 HA SER 39 HA SER 39 -2.103 5.060 -14.330 263 HB2 SER 39 1HB SER 39 0.311 6.176 -14.239 264 HB3 SER 39 2HB SER 39 0.687 4.880 -15.374 265 HG SER 39 HG SER 39 -0.060 6.863 -16.360 266 H VAL 40 H VAL 40 0.196 2.497 -13.760 267 HA VAL 40 HA VAL 40 -0.669 1.042 -16.137 268 HB VAL 40 HB VAL 40 1.026 -0.631 -15.482 269 HG11 VAL 40 1HG1 VAL 40 2.519 0.548 -16.635 270 HG12 VAL 40 2HG1 VAL 40 1.436 1.933 -16.489 271 HG13 VAL 40 3HG1 VAL 40 2.728 1.694 -15.312 272 HG21 VAL 40 1HG2 VAL 40 1.918 1.260 -13.330 273 HG22 VAL 40 2HG2 VAL 40 0.780 -0.045 -12.997 274 HG23 VAL 40 3HG2 VAL 40 2.396 -0.416 -13.598 275 H LEU 41 H LEU 41 -2.705 1.437 -14.286 276 HA LEU 41 HA LEU 41 -3.089 -1.287 -13.228 277 HB2 LEU 41 1HB LEU 41 -3.881 1.373 -12.089 278 HB3 LEU 41 2HB LEU 41 -4.710 -0.110 -11.620 279 HG LEU 41 HG LEU 41 -1.761 0.412 -11.253 280 HD11 LEU 41 1HD1 LEU 41 -3.336 1.822 -9.870 281 HD12 LEU 41 2HD1 LEU 41 -2.198 0.820 -8.971 282 HD13 LEU 41 3HD1 LEU 41 -3.882 0.320 -9.125 283 HD21 LEU 41 1HD2 LEU 41 -1.546 -1.723 -10.671 284 HD22 LEU 41 2HD2 LEU 41 -3.150 -1.993 -11.354 285 HD23 LEU 41 3HD2 LEU 41 -2.969 -1.653 -9.632 286 HA PRO 42 HA PRO 42 -6.698 -1.630 -15.703 287 HB2 PRO 42 1HB PRO 42 -8.265 -3.192 -14.130 288 HB3 PRO 42 2HB PRO 42 -6.842 -3.806 -14.979 289 HG2 PRO 42 1HG PRO 42 -7.129 -2.973 -12.118 290 HG3 PRO 42 2HG PRO 42 -6.291 -4.382 -12.794 291 HD2 PRO 42 1HD PRO 42 -4.981 -2.143 -12.017 292 HD3 PRO 42 2HD PRO 42 -4.424 -3.156 -13.364 293 H ASP 43 H ASP 43 -9.264 -1.678 -15.282 294 HA ASP 43 HA ASP 43 -9.843 0.881 -13.978 295 HB2 ASP 43 1HB ASP 43 -11.209 -0.713 -16.128 296 HB3 ASP 43 2HB ASP 43 -12.085 0.536 -15.247 297 H ASN 44 H ASN 44 -10.481 -2.513 -13.754 298 HA ASN 44 HA ASN 44 -12.404 -2.005 -11.579 299 HB2 ASN 44 1HB ASN 44 -12.129 -4.454 -13.336 300 HB3 ASN 44 2HB ASN 44 -13.270 -4.283 -12.005 301 HD21 ASN 44 1HD2 ASN 44 -13.245 -4.405 -15.146 302 HD22 ASN 44 2HD2 ASN 44 -14.457 -3.245 -15.558 303 H TRP 45 H TRP 45 -9.880 -1.714 -10.813 304 HA TRP 45 HA TRP 45 -8.615 -4.143 -10.001 305 HB2 TRP 45 1HB TRP 45 -7.405 -1.990 -10.401 306 HB3 TRP 45 2HB TRP 45 -8.149 -1.350 -8.938 307 HD1 TRP 45 HD TRP 45 -5.301 -3.516 -10.125 308 HE1 TRP 45 1HE TRP 45 -3.888 -4.256 -8.105 309 HE3 TRP 45 3HE TRP 45 -8.398 -1.975 -6.361 310 HZ2 TRP 45 2HZ TRP 45 -4.064 -4.196 -5.288 311 HZ3 TRP 45 3HZ TRP 45 -7.702 -2.354 -4.031 312 HH2 TRP 45 HH TRP 45 -5.580 -3.442 -3.508 313 H SER 46 H SER 46 -8.485 -5.056 -7.952 314 HA SER 46 HA SER 46 -10.237 -3.983 -5.867 315 HB2 SER 46 1HB SER 46 -10.985 -6.438 -5.481 316 HB3 SER 46 2HB SER 46 -11.742 -5.525 -6.786 317 HG SER 46 HG SER 46 -11.162 -7.394 -7.729 318 H CYS 47 H CYS 47 -10.006 -5.531 -3.846 319 HA CYS 47 HA CYS 47 -7.368 -5.302 -2.946 320 HB2 CYS 47 1HB CYS 47 -9.495 -7.143 -1.837 321 HB3 CYS 47 2HB CYS 47 -8.093 -6.514 -0.978 322 H ASP 48 H ASP 48 -9.039 -7.916 -4.542 323 HA ASP 48 HA ASP 48 -7.229 -9.994 -3.932 324 HB2 ASP 48 1HB ASP 48 -9.389 -10.574 -4.780 325 HB3 ASP 48 2HB ASP 48 -9.149 -9.601 -6.229 326 H GLN 49 H GLN 49 -6.959 -7.275 -5.963 327 HA GLN 49 HA GLN 49 -4.824 -8.493 -7.557 328 HB2 GLN 49 1HB GLN 49 -6.349 -5.906 -7.820 329 HB3 GLN 49 2HB GLN 49 -4.917 -6.259 -8.778 330 HG2 GLN 49 1HG GLN 49 -5.989 -8.144 -9.796 331 HG3 GLN 49 2HG GLN 49 -7.384 -7.979 -8.730 332 HE21 GLN 49 1HE2 GLN 49 -9.066 -7.195 -9.754 333 HE22 GLN 49 2HE2 GLN 49 -9.044 -5.982 -10.984 334 H ASN 50 H ASN 50 -4.589 -7.795 -4.684 335 HA ASN 50 HA ASN 50 -2.701 -5.573 -4.706 336 HB2 ASN 50 1HB ASN 50 -4.526 -6.131 -2.881 337 HB3 ASN 50 2HB ASN 50 -3.269 -7.196 -2.259 338 HD21 ASN 50 1HD2 ASN 50 -2.505 -6.209 -0.521 339 HD22 ASN 50 2HD2 ASN 50 -1.940 -4.577 -0.459 340 H THR 51 H THR 51 -0.571 -5.791 -3.780 341 HA THR 51 HA THR 51 0.654 -8.337 -4.517 342 HB THR 51 HB THR 51 2.786 -7.172 -4.415 343 HG1 THR 51 1HG THR 51 1.203 -5.131 -3.263 344 HG21 THR 51 1HG2 THR 51 2.519 -5.774 -6.286 345 HG22 THR 51 2HG2 THR 51 0.887 -5.304 -5.811 346 HG23 THR 51 3HG2 THR 51 1.197 -6.934 -6.409 347 H ASP 52 H ASP 52 -0.179 -6.498 -1.729 348 HA ASP 52 HA ASP 52 1.637 -7.971 0.008 349 HB2 ASP 52 1HB ASP 52 1.119 -5.491 0.280 350 HB3 ASP 52 2HB ASP 52 -0.469 -5.986 0.860 351 H VAL 53 H VAL 53 1.044 -9.980 0.503 352 HA VAL 53 HA VAL 53 -1.505 -11.069 0.336 353 HB VAL 53 HB VAL 53 -0.683 -12.923 1.689 354 HG11 VAL 53 1HG1 VAL 53 1.700 -13.001 0.380 355 HG12 VAL 53 2HG1 VAL 53 0.142 -13.410 -0.342 356 HG13 VAL 53 3HG1 VAL 53 0.821 -11.797 -0.562 357 HG21 VAL 53 1HG2 VAL 53 0.549 -12.209 3.455 358 HG22 VAL 53 2HG2 VAL 53 1.880 -12.555 2.351 359 HG23 VAL 53 3HG2 VAL 53 1.301 -10.900 2.543 360 H GLN 54 H GLN 54 -0.067 -9.160 2.843 361 HA GLN 54 HA GLN 54 -1.751 -9.911 4.983 362 HB2 GLN 54 1HB GLN 54 -0.441 -7.222 4.569 363 HB3 GLN 54 2HB GLN 54 -0.959 -7.925 6.095 364 HG2 GLN 54 1HG GLN 54 0.728 -9.832 5.334 365 HG3 GLN 54 2HG GLN 54 1.447 -8.477 4.466 366 HE21 GLN 54 1HE2 GLN 54 1.501 -10.160 7.280 367 HE22 GLN 54 2HE2 GLN 54 2.195 -8.969 8.320 368 H TYR 55 H TYR 55 -2.233 -7.908 2.222 369 HA TYR 55 HA TYR 55 -4.968 -7.382 3.092 370 HB2 TYR 55 1HB TYR 55 -3.114 -5.203 2.109 371 HB3 TYR 55 2HB TYR 55 -4.835 -5.014 2.425 372 HD1 TYR 55 1HD TYR 55 -1.542 -5.578 3.987 373 HD2 TYR 55 2HD TYR 55 -5.659 -4.732 4.650 374 HE1 TYR 55 1HE TYR 55 -1.042 -5.009 6.327 375 HE2 TYR 55 2HE TYR 55 -5.170 -4.160 6.992 376 HH TYR 55 HH TYR 55 -2.787 -5.033 8.639 377 H ASN 56 H ASN 56 -4.473 -9.271 1.322 378 HA ASN 56 HA ASN 56 -4.898 -8.055 -1.325 379 HB2 ASN 56 1HB ASN 56 -3.876 -9.890 -2.329 380 HB3 ASN 56 2HB ASN 56 -2.928 -9.697 -0.857 381 HD21 ASN 56 1HD2 ASN 56 -3.413 -11.091 0.937 382 HD22 ASN 56 2HD2 ASN 56 -4.061 -12.667 0.647 383 H ARG 57 H ARG 57 -6.858 -8.624 0.892 384 HA ARG 57 HA ARG 57 -8.750 -10.172 -0.744 385 HB2 ARG 57 1HB ARG 57 -8.472 -10.348 2.263 386 HB3 ARG 57 2HB ARG 57 -9.684 -11.174 1.292 387 HG2 ARG 57 1HG ARG 57 -7.025 -11.743 0.333 388 HG3 ARG 57 2HG ARG 57 -7.190 -12.137 2.045 389 HD2 ARG 57 1HD ARG 57 -9.239 -13.423 1.498 390 HD3 ARG 57 2HD ARG 57 -8.942 -13.104 -0.211 391 HE ARG 57 HE ARG 57 -6.717 -14.331 1.122 392 HH11 ARG 57 1HH1 ARG 57 -9.745 -14.910 -0.495 393 HH12 ARG 57 2HH1 ARG 57 -9.337 -16.529 -0.958 394 HH21 ARG 57 1HH2 ARG 57 -6.168 -16.461 0.518 395 HH22 ARG 57 2HH2 ARG 57 -7.303 -17.410 -0.381 396 H CYS 58 H CYS 58 -10.992 -9.651 -0.390 397 HA CYS 58 HA CYS 58 -11.365 -6.829 0.120 398 HB2 CYS 58 1HB CYS 58 -13.127 -9.029 -0.931 399 HB3 CYS 58 2HB CYS 58 -13.796 -7.459 -0.498 400 H ASP 59 H ASP 59 -11.194 -9.407 2.094 401 HA ASP 59 HA ASP 59 -13.374 -8.551 3.862 402 HB2 ASP 59 1HB ASP 59 -12.942 -11.021 3.198 403 HB3 ASP 59 2HB ASP 59 -11.612 -10.938 4.349 404 H ILE 60 H ILE 60 -9.934 -8.561 3.528 405 HA ILE 60 HA ILE 60 -9.236 -8.191 6.247 406 HB ILE 60 HB ILE 60 -7.750 -7.328 3.763 407 HG12 ILE 60 1HG1 ILE 60 -7.122 -9.720 5.470 408 HG13 ILE 60 2HG1 ILE 60 -8.326 -9.826 4.189 409 HG21 ILE 60 1HG2 ILE 60 -5.775 -7.245 5.194 410 HG22 ILE 60 2HG2 ILE 60 -7.009 -6.114 5.746 411 HG23 ILE 60 3HG2 ILE 60 -6.769 -7.640 6.597 412 HD11 ILE 60 1HD1 ILE 60 -6.492 -10.507 3.045 413 HD12 ILE 60 2HD1 ILE 60 -6.364 -8.770 2.767 414 HD13 ILE 60 3HD1 ILE 60 -5.385 -9.537 4.017 415 HA PRO 61 HA PRO 61 -10.614 -4.026 6.825 416 HB2 PRO 61 1HB PRO 61 -9.299 -3.550 9.152 417 HB3 PRO 61 2HB PRO 61 -10.751 -4.555 9.057 418 HG2 PRO 61 1HG PRO 61 -7.877 -5.385 9.171 419 HG3 PRO 61 2HG PRO 61 -9.273 -6.068 10.024 420 HD2 PRO 61 1HD PRO 61 -8.222 -7.207 7.803 421 HD3 PRO 61 2HD PRO 61 -9.952 -7.292 8.192 422 H GLU 62 H GLU 62 -9.697 -1.853 7.119 423 HA GLU 62 HA GLU 62 -7.355 -1.508 5.498 424 HB2 GLU 62 1HB GLU 62 -9.143 0.446 6.944 425 HB3 GLU 62 2HB GLU 62 -7.761 0.941 5.977 426 HG2 GLU 62 1HG GLU 62 -8.743 0.075 3.990 427 HG3 GLU 62 2HG GLU 62 -10.039 -0.697 4.901 428 H GLU 63 H GLU 63 -5.414 -0.468 6.099 429 HA GLU 63 HA GLU 63 -4.224 -1.340 8.439 430 HB2 GLU 63 1HB GLU 63 -3.558 0.656 6.358 431 HB3 GLU 63 2HB GLU 63 -2.710 0.830 7.889 432 HG2 GLU 63 1HG GLU 63 -2.821 -1.783 6.425 433 HG3 GLU 63 2HG GLU 63 -1.597 -0.563 6.078 434 H THR 64 H THR 64 -3.199 0.161 10.112 435 HA THR 64 HA THR 64 -5.197 1.276 11.706 436 HB THR 64 HB THR 64 -3.144 2.472 12.824 437 HG1 THR 64 1HG THR 64 -1.288 2.078 11.898 438 HG21 THR 64 1HG2 THR 64 -2.651 0.471 14.055 439 HG22 THR 64 2HG2 THR 64 -3.237 -0.543 12.736 440 HG23 THR 64 3HG2 THR 64 -4.367 0.454 13.652 441 H TRP 65 H TRP 65 -6.379 3.014 11.276 442 HA TRP 65 HA TRP 65 -5.807 4.983 9.400 443 HB2 TRP 65 1HB TRP 65 -7.583 5.130 11.844 444 HB3 TRP 65 2HB TRP 65 -7.580 6.317 10.542 445 HD1 TRP 65 HD TRP 65 -7.309 3.926 8.238 446 HE1 TRP 65 1HE TRP 65 -9.473 2.681 7.612 447 HE3 TRP 65 3HE TRP 65 -10.103 5.023 12.377 448 HZ2 TRP 65 2HZ TRP 65 -12.026 2.224 8.725 449 HZ3 TRP 65 3HZ TRP 65 -12.397 4.144 12.518 450 HH2 TRP 65 HH TRP 65 -13.337 2.774 10.728 451 H THR 66 H THR 66 -5.194 4.939 12.884 452 HA THR 66 HA THR 66 -3.763 7.492 12.647 453 HB THR 66 HB THR 66 -4.415 6.061 15.221 454 HG1 THR 66 1HG THR 66 -6.421 6.627 14.908 455 HG21 THR 66 1HG2 THR 66 -3.801 7.992 16.293 456 HG22 THR 66 2HG2 THR 66 -4.218 9.017 14.919 457 HG23 THR 66 3HG2 THR 66 -2.727 8.076 14.897 458 H GLY 67 H GLY 67 -1.783 6.905 11.833 459 HA2 GLY 67 1HA GLY 67 0.068 5.749 13.699 460 HA3 GLY 67 2HA GLY 67 -0.259 4.689 12.335 461 H LEU 68 H LEU 68 0.654 8.054 13.051 462 HA LEU 68 HA LEU 68 2.253 8.056 10.582 463 HB2 LEU 68 1HB LEU 68 2.259 10.577 10.986 464 HB3 LEU 68 2HB LEU 68 0.759 9.832 10.439 465 HG LEU 68 HG LEU 68 1.154 10.235 13.363 466 HD11 LEU 68 1HD1 LEU 68 1.859 12.362 12.368 467 HD12 LEU 68 2HD1 LEU 68 0.328 12.512 13.229 468 HD13 LEU 68 3HD1 LEU 68 0.344 12.435 11.468 469 HD21 LEU 68 1HD2 LEU 68 -1.045 9.857 13.442 470 HD22 LEU 68 2HD2 LEU 68 -0.882 9.287 11.781 471 HD23 LEU 68 3HD2 LEU 68 -1.371 10.952 12.098 472 H GLU 69 H GLU 69 4.247 9.498 10.736 473 HA GLU 69 HA GLU 69 6.075 8.415 12.507 474 HB2 GLU 69 1HB GLU 69 6.085 10.980 10.934 475 HB3 GLU 69 2HB GLU 69 7.443 10.528 11.954 476 HG2 GLU 69 1HG GLU 69 6.370 9.023 9.583 477 HG3 GLU 69 2HG GLU 69 7.913 9.866 9.709 Start of MODEL 3 1 H1 GLY 1 H GLY 1 13.527 26.092 -17.402 2 HA2 GLY 1 1HA GLY 1 13.384 24.324 -19.717 3 HA3 GLY 1 2HA GLY 1 14.997 24.728 -19.146 4 H SER 2 H SER 2 14.776 24.671 -16.456 5 HA SER 2 HA SER 2 14.036 21.868 -15.943 6 HB2 SER 2 1HB SER 2 15.898 23.382 -14.154 7 HB3 SER 2 2HB SER 2 15.852 21.657 -14.519 8 HG SER 2 HG SER 2 17.458 22.194 -15.788 9 H SER 3 H SER 3 13.759 25.162 -14.796 10 HA SER 3 HA SER 3 12.704 24.774 -12.267 11 HB2 SER 3 1HB SER 3 13.181 27.001 -12.835 12 HB3 SER 3 2HB SER 3 12.267 26.910 -14.340 13 HG SER 3 HG SER 3 10.779 27.832 -13.159 14 H GLY 4 H GLY 4 11.145 23.354 -11.796 15 HA2 GLY 4 1HA GLY 4 8.547 23.553 -11.936 16 HA3 GLY 4 2HA GLY 4 8.850 23.098 -13.606 17 H SER 5 H SER 5 8.076 21.084 -13.769 18 HA SER 5 HA SER 5 9.346 19.015 -12.153 19 HB2 SER 5 1HB SER 5 7.212 17.932 -11.616 20 HB3 SER 5 2HB SER 5 7.267 19.561 -10.943 21 HG SER 5 HG SER 5 5.560 18.505 -12.768 22 H SER 6 H SER 6 9.783 17.216 -13.291 23 HA SER 6 HA SER 6 8.750 17.088 -16.042 24 HB2 SER 6 1HB SER 6 11.164 17.286 -15.959 25 HB3 SER 6 2HB SER 6 11.273 15.936 -14.830 26 HG SER 6 HG SER 6 11.475 15.740 -17.367 27 H GLY 7 H GLY 7 10.074 14.676 -13.774 28 HA2 GLY 7 1HA GLY 7 8.327 13.110 -12.820 29 HA3 GLY 7 2HA GLY 7 7.800 12.933 -14.487 30 H GLU 8 H GLU 8 10.961 12.879 -12.833 31 HA GLU 8 HA GLU 8 11.386 10.174 -13.882 32 HB2 GLU 8 1HB GLU 8 13.003 12.606 -14.453 33 HB3 GLU 8 2HB GLU 8 13.872 11.101 -14.184 34 HG2 GLU 8 1HG GLU 8 11.757 11.602 -16.264 35 HG3 GLU 8 2HG GLU 8 13.489 11.432 -16.539 36 H ILE 9 H ILE 9 12.541 8.833 -12.565 37 HA ILE 9 HA ILE 9 13.067 9.829 -9.874 38 HB ILE 9 HB ILE 9 13.243 7.493 -9.213 39 HG12 ILE 9 1HG1 ILE 9 12.329 6.250 -11.652 40 HG13 ILE 9 2HG1 ILE 9 13.854 7.084 -11.930 41 HG21 ILE 9 1HG2 ILE 9 11.007 7.143 -9.179 42 HG22 ILE 9 2HG2 ILE 9 10.982 8.781 -9.829 43 HG23 ILE 9 3HG2 ILE 9 10.829 7.400 -10.915 44 HD11 ILE 9 1HD1 ILE 9 14.855 5.283 -11.122 45 HD12 ILE 9 2HD1 ILE 9 14.227 5.735 -9.537 46 HD13 ILE 9 3HD1 ILE 9 13.328 4.609 -10.553 47 H SER 10 H SER 10 15.027 9.203 -8.740 48 HA SER 10 HA SER 10 17.336 8.873 -10.541 49 HB2 SER 10 1HB SER 10 18.595 10.303 -8.848 50 HB3 SER 10 2HB SER 10 17.411 11.148 -9.846 51 HG SER 10 HG SER 10 16.230 11.526 -8.134 52 H GLY 11 H GLY 11 17.478 6.657 -10.149 53 HA2 GLY 11 1HA GLY 11 18.388 4.831 -9.083 54 HA3 GLY 11 2HA GLY 11 18.984 5.926 -7.844 55 H PHE 12 H PHE 12 18.376 5.109 -5.948 56 HA PHE 12 HA PHE 12 15.695 3.961 -5.681 57 HB2 PHE 12 1HB PHE 12 18.218 3.741 -4.063 58 HB3 PHE 12 2HB PHE 12 16.663 3.300 -3.365 59 HD1 PHE 12 2HD PHE 12 15.224 1.661 -4.845 60 HD2 PHE 12 1HD PHE 12 19.447 2.119 -5.121 61 HE1 PHE 12 2HE PHE 12 15.395 -0.568 -5.873 62 HE2 PHE 12 1HE PHE 12 19.624 -0.109 -6.151 63 HZ PHE 12 HZ PHE 12 17.597 -1.456 -6.527 64 H GLY 13 H GLY 13 14.927 4.306 -3.211 65 HA2 GLY 13 1HA GLY 13 15.334 6.544 -1.740 66 HA3 GLY 13 2HA GLY 13 14.343 7.130 -3.067 67 H GLN 14 H GLN 14 12.290 7.308 -2.499 68 HA GLN 14 HA GLN 14 10.983 5.086 -1.145 69 HB2 GLN 14 1HB GLN 14 9.939 6.545 0.529 70 HB3 GLN 14 2HB GLN 14 11.690 6.528 0.693 71 HG2 GLN 14 1HG GLN 14 11.689 8.662 -0.678 72 HG3 GLN 14 2HG GLN 14 9.947 8.702 -0.415 73 HE21 GLN 14 1HE2 GLN 14 12.169 10.470 0.483 74 HE22 GLN 14 2HE2 GLN 14 11.986 10.580 2.197 75 H CYS 15 H CYS 15 8.615 5.280 -1.174 76 HA CYS 15 HA CYS 15 7.408 7.265 -2.865 77 HB2 CYS 15 1HB CYS 15 6.529 5.542 -4.497 78 HB3 CYS 15 2HB CYS 15 8.239 5.927 -4.649 79 HG CYS 15 HG CYS 15 7.950 3.203 -5.102 80 H LEU 16 H LEU 16 5.047 6.880 -3.120 81 HA LEU 16 HA LEU 16 3.889 5.017 -1.200 82 HB2 LEU 16 1HB LEU 16 3.576 8.005 -1.084 83 HB3 LEU 16 2HB LEU 16 2.427 6.900 -0.333 84 HG LEU 16 HG LEU 16 5.355 6.895 0.359 85 HD11 LEU 16 1HD1 LEU 16 4.907 9.018 1.056 86 HD12 LEU 16 2HD1 LEU 16 4.330 8.123 2.461 87 HD13 LEU 16 3HD1 LEU 16 3.182 8.710 1.259 88 HD21 LEU 16 1HD2 LEU 16 2.977 5.433 1.197 89 HD22 LEU 16 2HD2 LEU 16 3.870 6.141 2.544 90 HD23 LEU 16 3HD2 LEU 16 4.684 5.049 1.422 91 H VAL 17 H VAL 17 2.638 3.897 -2.566 92 HA VAL 17 HA VAL 17 0.740 5.416 -4.232 93 HB VAL 17 HB VAL 17 0.796 3.490 -5.836 94 HG11 VAL 17 1HG1 VAL 17 3.536 4.679 -5.622 95 HG12 VAL 17 2HG1 VAL 17 2.565 4.364 -7.062 96 HG13 VAL 17 3HG1 VAL 17 2.139 5.693 -5.983 97 HG21 VAL 17 1HG2 VAL 17 1.925 1.637 -5.368 98 HG22 VAL 17 2HG2 VAL 17 3.421 2.554 -5.194 99 HG23 VAL 17 3HG2 VAL 17 2.361 2.324 -3.804 100 H TRP 18 H TRP 18 -1.296 5.080 -3.662 101 HA TRP 18 HA TRP 18 -1.992 2.521 -2.375 102 HB2 TRP 18 1HB TRP 18 -3.201 5.258 -1.924 103 HB3 TRP 18 2HB TRP 18 -3.790 3.764 -1.199 104 HD1 TRP 18 HD TRP 18 -0.540 5.884 -1.229 105 HE1 TRP 18 1HE TRP 18 0.587 5.635 1.072 106 HE3 TRP 18 3HE TRP 18 -3.741 2.502 0.880 107 HZ2 TRP 18 2HZ TRP 18 0.173 4.195 3.464 108 HZ3 TRP 18 3HZ TRP 18 -3.305 1.739 3.178 109 HH2 TRP 18 HH TRP 18 -1.387 2.569 4.442 110 H VAL 19 H VAL 19 -3.939 1.531 -2.936 111 HA VAL 19 HA VAL 19 -5.327 2.659 -5.276 112 HB VAL 19 HB VAL 19 -5.663 0.247 -6.019 113 HG11 VAL 19 1HG1 VAL 19 -3.418 0.146 -7.095 114 HG12 VAL 19 2HG1 VAL 19 -4.218 1.711 -7.250 115 HG13 VAL 19 3HG1 VAL 19 -2.920 1.495 -6.076 116 HG21 VAL 19 1HG2 VAL 19 -3.377 -0.180 -4.097 117 HG22 VAL 19 2HG2 VAL 19 -5.001 -0.853 -3.957 118 HG23 VAL 19 3HG2 VAL 19 -3.949 -1.356 -5.280 119 H GLN 20 H GLN 20 -7.464 2.800 -5.058 120 HA GLN 20 HA GLN 20 -8.711 1.634 -2.701 121 HB2 GLN 20 1HB GLN 20 -9.002 4.068 -3.559 122 HB3 GLN 20 2HB GLN 20 -10.125 3.357 -4.711 123 HG2 GLN 20 1HG GLN 20 -11.301 2.341 -2.704 124 HG3 GLN 20 2HG GLN 20 -10.324 3.430 -1.721 125 HE21 GLN 20 1HE2 GLN 20 -12.198 4.480 -0.999 126 HE22 GLN 20 2HE2 GLN 20 -13.055 5.593 -2.004 127 H CYS 21 H CYS 21 -10.065 -0.051 -2.721 128 HA CYS 21 HA CYS 21 -10.248 -1.820 -4.830 129 HB2 CYS 21 1HB CYS 21 -10.841 -2.202 -2.377 130 HB3 CYS 21 2HB CYS 21 -12.417 -1.515 -2.756 131 H SER 22 H SER 22 -12.040 -2.434 -6.186 132 HA SER 22 HA SER 22 -13.313 -0.130 -7.372 133 HB2 SER 22 1HB SER 22 -12.506 -1.660 -8.968 134 HB3 SER 22 2HB SER 22 -13.155 -3.049 -8.096 135 HG SER 22 HG SER 22 -15.165 -2.568 -8.803 136 H PHE 23 H PHE 23 -14.195 -2.781 -5.305 137 HA PHE 23 HA PHE 23 -17.019 -2.555 -5.682 138 HB2 PHE 23 1HB PHE 23 -15.409 -3.843 -3.469 139 HB3 PHE 23 2HB PHE 23 -17.153 -3.997 -3.656 140 HD1 PHE 23 2HD PHE 23 -17.851 -4.745 -6.146 141 HD2 PHE 23 1HD PHE 23 -14.139 -5.579 -4.238 142 HE1 PHE 23 2HE PHE 23 -17.521 -6.673 -7.639 143 HE2 PHE 23 1HE PHE 23 -13.802 -7.508 -5.728 144 HZ PHE 23 HZ PHE 23 -15.495 -8.058 -7.431 145 HA PRO 24 HA PRO 24 -17.874 0.917 -3.117 146 HB2 PRO 24 1HB PRO 24 -20.459 0.371 -2.495 147 HB3 PRO 24 2HB PRO 24 -19.954 0.935 -4.093 148 HG2 PRO 24 1HG PRO 24 -20.555 -1.848 -3.169 149 HG3 PRO 24 2HG PRO 24 -21.020 -1.046 -4.681 150 HD2 PRO 24 1HD PRO 24 -18.945 -2.778 -4.530 151 HD3 PRO 24 2HD PRO 24 -18.960 -1.402 -5.650 152 H ASN 25 H ASN 25 -19.149 -2.173 -1.864 153 HA ASN 25 HA ASN 25 -19.331 -1.442 0.814 154 HB2 ASN 25 1HB ASN 25 -19.444 -3.786 1.316 155 HB3 ASN 25 2HB ASN 25 -20.253 -3.536 -0.228 156 HD21 ASN 25 1HD2 ASN 25 -19.656 -4.752 -1.881 157 HD22 ASN 25 2HD2 ASN 25 -18.231 -5.726 -1.952 158 H CYS 26 H CYS 26 -16.564 -2.205 -1.108 159 HA CYS 26 HA CYS 26 -14.838 -2.651 1.181 160 HB2 CYS 26 1HB CYS 26 -14.692 -3.090 -1.686 161 HB3 CYS 26 2HB CYS 26 -13.231 -2.318 -1.078 162 H GLY 27 H GLY 27 -14.316 -0.527 -1.623 163 HA2 GLY 27 1HA GLY 27 -13.397 1.575 -1.756 164 HA3 GLY 27 2HA GLY 27 -14.431 1.937 -0.382 165 H LYS 28 H LYS 28 -11.918 -0.468 -0.180 166 HA LYS 28 HA LYS 28 -10.568 1.173 1.826 167 HB2 LYS 28 1HB LYS 28 -10.225 -1.744 1.108 168 HB3 LYS 28 2HB LYS 28 -9.389 -0.919 2.417 169 HG2 LYS 28 1HG LYS 28 -11.562 -0.463 3.482 170 HG3 LYS 28 2HG LYS 28 -12.358 -1.371 2.195 171 HD2 LYS 28 1HD LYS 28 -11.131 -3.377 2.833 172 HD3 LYS 28 2HD LYS 28 -10.282 -2.474 4.090 173 HE2 LYS 28 1HE LYS 28 -12.171 -3.828 4.952 174 HE3 LYS 28 2HE LYS 28 -12.335 -2.104 5.284 175 HZ1 LYS 28 1HZ LYS 28 -14.169 -1.968 4.042 176 HZ2 LYS 28 2HZ LYS 28 -14.240 -3.653 4.171 177 HZ3 LYS 28 3HZ LYS 28 -13.543 -2.938 2.805 178 H TRP 29 H TRP 29 -8.378 1.667 1.751 179 HA TRP 29 HA TRP 29 -7.232 1.649 -0.939 180 HB2 TRP 29 1HB TRP 29 -6.609 3.225 1.556 181 HB3 TRP 29 2HB TRP 29 -5.552 3.242 0.147 182 HD1 TRP 29 HD TRP 29 -8.865 4.589 1.419 183 HE1 TRP 29 1HE TRP 29 -9.776 6.309 -0.266 184 HE3 TRP 29 3HE TRP 29 -5.559 3.811 -2.403 185 HZ2 TRP 29 2HZ TRP 29 -9.173 7.215 -2.871 186 HZ3 TRP 29 3HZ TRP 29 -5.796 5.145 -4.457 187 HH2 TRP 29 HH TRP 29 -7.566 6.811 -4.684 188 H ARG 30 H ARG 30 -6.211 -0.243 -1.299 189 HA ARG 30 HA ARG 30 -4.687 -1.566 0.757 190 HB2 ARG 30 1HB ARG 30 -4.852 -2.181 -2.199 191 HB3 ARG 30 2HB ARG 30 -4.215 -3.241 -0.948 192 HG2 ARG 30 1HG ARG 30 -7.050 -2.263 -0.900 193 HG3 ARG 30 2HG ARG 30 -6.567 -3.702 -1.799 194 HD2 ARG 30 1HD ARG 30 -7.055 -4.731 0.152 195 HD3 ARG 30 2HD ARG 30 -5.412 -4.238 0.562 196 HE ARG 30 HE ARG 30 -6.870 -2.130 1.375 197 HH11 ARG 30 1HH1 ARG 30 -7.183 -5.555 1.917 198 HH12 ARG 30 2HH1 ARG 30 -7.914 -5.373 3.477 199 HH21 ARG 30 1HH2 ARG 30 -7.832 -1.878 3.428 200 HH22 ARG 30 2HH2 ARG 30 -8.283 -3.281 4.335 201 H ARG 31 H ARG 31 -2.430 -2.026 0.647 202 HA ARG 31 HA ARG 31 -0.909 0.179 -0.522 203 HB2 ARG 31 1HB ARG 31 -0.332 -1.836 1.634 204 HB3 ARG 31 2HB ARG 31 0.960 -0.890 0.906 205 HG2 ARG 31 1HG ARG 31 -0.613 1.125 1.504 206 HG3 ARG 31 2HG ARG 31 -1.262 -0.021 2.678 207 HD2 ARG 31 1HD ARG 31 0.457 1.224 3.762 208 HD3 ARG 31 2HD ARG 31 1.078 -0.400 3.474 209 HE ARG 31 HE ARG 31 1.866 1.106 1.306 210 HH11 ARG 31 1HH1 ARG 31 2.340 1.181 4.754 211 HH12 ARG 31 2HH1 ARG 31 3.905 1.917 4.655 212 HH21 ARG 31 1HH2 ARG 31 3.925 2.076 1.162 213 HH22 ARG 31 2HH2 ARG 31 4.805 2.427 2.611 214 H LEU 32 H LEU 32 0.703 -0.084 -2.004 215 HA LEU 32 HA LEU 32 1.004 -2.789 -3.132 216 HB2 LEU 32 1HB LEU 32 1.096 -0.086 -4.450 217 HB3 LEU 32 2HB LEU 32 1.648 -1.560 -5.241 218 HG LEU 32 HG LEU 32 -1.151 -1.316 -4.189 219 HD11 LEU 32 1HD1 LEU 32 0.022 -0.135 -6.657 220 HD12 LEU 32 2HD1 LEU 32 -1.246 0.485 -5.600 221 HD13 LEU 32 3HD1 LEU 32 -1.599 -0.825 -6.726 222 HD21 LEU 32 1HD2 LEU 32 -0.016 -2.913 -6.477 223 HD22 LEU 32 2HD2 LEU 32 -1.621 -3.054 -5.757 224 HD23 LEU 32 3HD2 LEU 32 -0.194 -3.532 -4.835 225 H CYS 33 H CYS 33 3.129 -2.984 -4.418 226 HA CYS 33 HA CYS 33 5.274 -2.911 -2.679 227 HB2 CYS 33 1HB CYS 33 5.214 -4.293 -4.713 228 HB3 CYS 33 2HB CYS 33 5.362 -2.846 -5.703 229 HG CYS 33 HG CYS 33 7.747 -4.686 -4.985 230 H GLY 34 H GLY 34 5.080 -0.852 -5.588 231 HA2 GLY 34 1HA GLY 34 5.325 1.633 -4.502 232 HA3 GLY 34 2HA GLY 34 6.968 1.011 -4.469 233 H ASN 35 H ASN 35 6.412 -0.571 -6.956 234 HA ASN 35 HA ASN 35 6.870 1.639 -8.825 235 HB2 ASN 35 1HB ASN 35 7.645 -0.286 -10.341 236 HB3 ASN 35 2HB ASN 35 8.651 0.104 -8.949 237 HD21 ASN 35 1HD2 ASN 35 6.090 -2.056 -10.053 238 HD22 ASN 35 2HD2 ASN 35 6.550 -3.396 -9.064 239 H ILE 36 H ILE 36 4.229 1.269 -8.049 240 HA ILE 36 HA ILE 36 3.039 0.307 -10.563 241 HB ILE 36 HB ILE 36 1.864 -0.067 -7.805 242 HG12 ILE 36 1HG1 ILE 36 2.012 -2.545 -8.762 243 HG13 ILE 36 2HG1 ILE 36 3.336 -1.851 -9.691 244 HG21 ILE 36 1HG2 ILE 36 0.724 -0.195 -10.508 245 HG22 ILE 36 2HG2 ILE 36 0.354 -1.575 -9.476 246 HG23 ILE 36 3HG2 ILE 36 -0.066 0.056 -8.952 247 HD11 ILE 36 1HD1 ILE 36 3.257 -2.666 -6.937 248 HD12 ILE 36 2HD1 ILE 36 4.638 -2.236 -7.946 249 HD13 ILE 36 3HD1 ILE 36 3.752 -0.980 -7.082 250 H ASP 37 H ASP 37 1.445 1.556 -11.432 251 HA ASP 37 HA ASP 37 0.702 3.990 -9.945 252 HB2 ASP 37 1HB ASP 37 2.106 3.788 -12.406 253 HB3 ASP 37 2HB ASP 37 0.504 4.426 -12.766 254 HA PRO 38 HA PRO 38 -3.504 2.920 -10.613 255 HB2 PRO 38 1HB PRO 38 -4.639 5.385 -10.688 256 HB3 PRO 38 2HB PRO 38 -4.033 4.652 -9.198 257 HG2 PRO 38 1HG PRO 38 -2.732 6.677 -10.979 258 HG3 PRO 38 2HG PRO 38 -2.804 6.626 -9.208 259 HD2 PRO 38 1HD PRO 38 -0.621 5.834 -10.600 260 HD3 PRO 38 2HD PRO 38 -1.090 5.093 -9.056 261 H SER 39 H SER 39 -2.183 5.452 -12.717 262 HA SER 39 HA SER 39 -4.152 5.505 -14.668 263 HB2 SER 39 1HB SER 39 -1.357 5.687 -15.636 264 HB3 SER 39 2HB SER 39 -2.704 6.803 -15.859 265 HG SER 39 HG SER 39 -0.734 6.810 -13.978 266 H VAL 40 H VAL 40 -1.332 3.375 -14.399 267 HA VAL 40 HA VAL 40 -1.982 1.941 -16.810 268 HB VAL 40 HB VAL 40 -0.134 0.452 -16.201 269 HG11 VAL 40 1HG1 VAL 40 0.030 3.161 -16.833 270 HG12 VAL 40 2HG1 VAL 40 1.250 2.907 -15.583 271 HG13 VAL 40 3HG1 VAL 40 1.281 1.939 -17.058 272 HG21 VAL 40 1HG2 VAL 40 1.146 0.762 -14.183 273 HG22 VAL 40 2HG2 VAL 40 0.126 2.116 -13.698 274 HG23 VAL 40 3HG2 VAL 40 -0.542 0.485 -13.755 275 H LEU 41 H LEU 41 -2.669 1.642 -13.421 276 HA LEU 41 HA LEU 41 -3.352 -1.106 -13.386 277 HB2 LEU 41 1HB LEU 41 -3.957 1.231 -11.620 278 HB3 LEU 41 2HB LEU 41 -4.750 -0.319 -11.346 279 HG LEU 41 HG LEU 41 -1.763 -0.151 -11.482 280 HD11 LEU 41 1HD1 LEU 41 -3.472 1.063 -9.475 281 HD12 LEU 41 2HD1 LEU 41 -1.730 1.201 -9.714 282 HD13 LEU 41 3HD1 LEU 41 -2.390 -0.153 -8.796 283 HD21 LEU 41 1HD2 LEU 41 -3.562 -1.937 -9.859 284 HD22 LEU 41 2HD2 LEU 41 -1.843 -2.144 -10.200 285 HD23 LEU 41 3HD2 LEU 41 -3.028 -2.329 -11.494 286 HA PRO 42 HA PRO 42 -7.321 -1.211 -15.259 287 HB2 PRO 42 1HB PRO 42 -8.541 -3.146 -13.796 288 HB3 PRO 42 2HB PRO 42 -7.265 -3.490 -14.969 289 HG2 PRO 42 1HG PRO 42 -7.083 -3.239 -11.992 290 HG3 PRO 42 2HG PRO 42 -6.328 -4.434 -13.062 291 HD2 PRO 42 1HD PRO 42 -4.979 -2.303 -12.077 292 HD3 PRO 42 2HD PRO 42 -4.629 -3.001 -13.671 293 H ASP 43 H ASP 43 -9.492 -0.599 -15.002 294 HA ASP 43 HA ASP 43 -9.975 1.228 -12.848 295 HB2 ASP 43 1HB ASP 43 -11.870 0.268 -15.002 296 HB3 ASP 43 2HB ASP 43 -12.099 1.675 -13.968 297 H ASN 44 H ASN 44 -10.785 -2.070 -13.534 298 HA ASN 44 HA ASN 44 -12.755 -2.140 -11.372 299 HB2 ASN 44 1HB ASN 44 -12.018 -4.057 -13.570 300 HB3 ASN 44 2HB ASN 44 -12.974 -4.583 -12.188 301 HD21 ASN 44 1HD2 ASN 44 -13.946 -4.701 -14.757 302 HD22 ASN 44 2HD2 ASN 44 -15.233 -3.562 -14.935 303 H TRP 45 H TRP 45 -9.876 -1.782 -10.897 304 HA TRP 45 HA TRP 45 -8.696 -4.173 -9.985 305 HB2 TRP 45 1HB TRP 45 -7.469 -2.042 -10.423 306 HB3 TRP 45 2HB TRP 45 -8.189 -1.372 -8.961 307 HD1 TRP 45 HD TRP 45 -5.357 -3.546 -10.150 308 HE1 TRP 45 1HE TRP 45 -3.934 -4.284 -8.136 309 HE3 TRP 45 3HE TRP 45 -8.438 -2.007 -6.371 310 HZ2 TRP 45 2HZ TRP 45 -4.096 -4.222 -5.318 311 HZ3 TRP 45 3HZ TRP 45 -7.730 -2.383 -4.045 312 HH2 TRP 45 HH TRP 45 -5.604 -3.469 -3.532 313 H SER 46 H SER 46 -8.573 -5.105 -7.957 314 HA SER 46 HA SER 46 -10.268 -3.995 -5.840 315 HB2 SER 46 1HB SER 46 -11.016 -6.446 -5.424 316 HB3 SER 46 2HB SER 46 -11.792 -5.540 -6.724 317 HG SER 46 HG SER 46 -10.933 -7.783 -7.142 318 H CYS 47 H CYS 47 -10.007 -5.518 -3.809 319 HA CYS 47 HA CYS 47 -7.354 -5.295 -2.956 320 HB2 CYS 47 1HB CYS 47 -9.467 -7.119 -1.794 321 HB3 CYS 47 2HB CYS 47 -8.051 -6.483 -0.964 322 H ASP 48 H ASP 48 -9.054 -7.906 -4.518 323 HA ASP 48 HA ASP 48 -7.253 -9.993 -3.913 324 HB2 ASP 48 1HB ASP 48 -9.468 -10.489 -4.757 325 HB3 ASP 48 2HB ASP 48 -9.131 -9.626 -6.255 326 H GLN 49 H GLN 49 -6.988 -7.289 -5.968 327 HA GLN 49 HA GLN 49 -4.874 -8.527 -7.572 328 HB2 GLN 49 1HB GLN 49 -6.381 -5.929 -7.828 329 HB3 GLN 49 2HB GLN 49 -4.960 -6.295 -8.798 330 HG2 GLN 49 1HG GLN 49 -6.053 -8.169 -9.808 331 HG3 GLN 49 2HG GLN 49 -7.434 -8.003 -8.724 332 HE21 GLN 49 1HE2 GLN 49 -9.125 -7.239 -9.751 333 HE22 GLN 49 2HE2 GLN 49 -9.116 -6.014 -10.969 334 H ASN 50 H ASN 50 -4.613 -7.814 -4.700 335 HA ASN 50 HA ASN 50 -2.699 -5.615 -4.753 336 HB2 ASN 50 1HB ASN 50 -4.522 -6.138 -2.913 337 HB3 ASN 50 2HB ASN 50 -3.270 -7.206 -2.286 338 HD21 ASN 50 1HD2 ASN 50 -2.553 -6.183 -0.540 339 HD22 ASN 50 2HD2 ASN 50 -1.949 -4.565 -0.508 340 H THR 51 H THR 51 -0.569 -5.853 -3.824 341 HA THR 51 HA THR 51 0.619 -8.421 -4.546 342 HB THR 51 HB THR 51 2.761 -7.291 -4.495 343 HG1 THR 51 1HG THR 51 2.629 -4.909 -4.065 344 HG21 THR 51 1HG2 THR 51 2.316 -6.581 -6.558 345 HG22 THR 51 2HG2 THR 51 1.588 -5.117 -5.898 346 HG23 THR 51 3HG2 THR 51 0.594 -6.546 -6.181 347 H ASP 52 H ASP 52 -0.180 -6.545 -1.774 348 HA ASP 52 HA ASP 52 1.634 -8.011 -0.030 349 HB2 ASP 52 1HB ASP 52 1.081 -5.514 0.196 350 HB3 ASP 52 2HB ASP 52 -0.467 -6.040 0.853 351 H VAL 53 H VAL 53 1.034 -10.015 0.479 352 HA VAL 53 HA VAL 53 -1.520 -11.093 0.335 353 HB VAL 53 HB VAL 53 -0.698 -12.943 1.698 354 HG11 VAL 53 1HG1 VAL 53 0.891 -11.822 -0.529 355 HG12 VAL 53 2HG1 VAL 53 1.623 -13.147 0.378 356 HG13 VAL 53 3HG1 VAL 53 0.053 -13.368 -0.396 357 HG21 VAL 53 1HG2 VAL 53 1.914 -12.501 2.278 358 HG22 VAL 53 2HG2 VAL 53 1.227 -10.906 2.585 359 HG23 VAL 53 3HG2 VAL 53 0.593 -12.317 3.432 360 H GLN 54 H GLN 54 -0.057 -9.175 2.820 361 HA GLN 54 HA GLN 54 -1.734 -9.905 4.974 362 HB2 GLN 54 1HB GLN 54 -0.391 -7.236 4.531 363 HB3 GLN 54 2HB GLN 54 -0.928 -7.906 6.066 364 HG2 GLN 54 1HG GLN 54 0.732 -9.854 5.331 365 HG3 GLN 54 2HG GLN 54 1.481 -8.512 4.466 366 HE21 GLN 54 1HE2 GLN 54 1.462 -10.183 7.293 367 HE22 GLN 54 2HE2 GLN 54 2.169 -8.999 8.335 368 H TYR 55 H TYR 55 -2.223 -7.929 2.200 369 HA TYR 55 HA TYR 55 -4.945 -7.368 3.087 370 HB2 TYR 55 1HB TYR 55 -3.073 -5.216 2.079 371 HB3 TYR 55 2HB TYR 55 -4.793 -5.007 2.386 372 HD1 TYR 55 2HD TYR 55 -1.511 -5.576 3.964 373 HD2 TYR 55 1HD TYR 55 -5.624 -4.698 4.607 374 HE1 TYR 55 2HE TYR 55 -1.014 -4.988 6.300 375 HE2 TYR 55 1HE TYR 55 -5.138 -4.106 6.945 376 HH TYR 55 HH TYR 55 -3.568 -4.275 8.599 377 H ASN 56 H ASN 56 -4.470 -9.277 1.329 378 HA ASN 56 HA ASN 56 -4.905 -8.083 -1.326 379 HB2 ASN 56 1HB ASN 56 -3.912 -9.940 -2.317 380 HB3 ASN 56 2HB ASN 56 -2.951 -9.742 -0.855 381 HD21 ASN 56 1HD2 ASN 56 -3.426 -11.116 0.953 382 HD22 ASN 56 2HD2 ASN 56 -4.099 -12.685 0.687 383 H ARG 57 H ARG 57 -6.855 -8.612 0.913 384 HA ARG 57 HA ARG 57 -8.778 -10.147 -0.698 385 HB2 ARG 57 1HB ARG 57 -8.487 -10.309 2.307 386 HB3 ARG 57 2HB ARG 57 -9.704 -11.135 1.343 387 HG2 ARG 57 1HG ARG 57 -7.061 -11.730 0.371 388 HG3 ARG 57 2HG ARG 57 -7.200 -12.094 2.092 389 HD2 ARG 57 1HD ARG 57 -9.265 -13.380 1.596 390 HD3 ARG 57 2HD ARG 57 -8.984 -13.097 -0.122 391 HE ARG 57 HE ARG 57 -6.765 -14.318 1.244 392 HH11 ARG 57 1HH1 ARG 57 -9.758 -14.872 -0.445 393 HH12 ARG 57 2HH1 ARG 57 -9.349 -16.491 -0.907 394 HH21 ARG 57 1HH2 ARG 57 -6.214 -16.449 0.642 395 HH22 ARG 57 2HH2 ARG 57 -7.333 -17.387 -0.287 396 H CYS 58 H CYS 58 -11.014 -9.605 -0.314 397 HA CYS 58 HA CYS 58 -11.350 -6.774 0.178 398 HB2 CYS 58 1HB CYS 58 -13.153 -8.959 -0.836 399 HB3 CYS 58 2HB CYS 58 -13.792 -7.374 -0.415 400 H ASP 59 H ASP 59 -11.214 -9.367 2.153 401 HA ASP 59 HA ASP 59 -13.358 -8.470 3.941 402 HB2 ASP 59 1HB ASP 59 -12.941 -10.950 3.281 403 HB3 ASP 59 2HB ASP 59 -11.617 -10.867 4.440 404 H ILE 60 H ILE 60 -9.925 -8.500 3.572 405 HA ILE 60 HA ILE 60 -9.198 -8.127 6.284 406 HB ILE 60 HB ILE 60 -7.729 -7.291 3.781 407 HG12 ILE 60 1HG1 ILE 60 -7.106 -9.675 5.502 408 HG13 ILE 60 2HG1 ILE 60 -8.315 -9.781 4.227 409 HG21 ILE 60 1HG2 ILE 60 -6.958 -6.064 5.743 410 HG22 ILE 60 2HG2 ILE 60 -6.729 -7.582 6.610 411 HG23 ILE 60 3HG2 ILE 60 -5.739 -7.216 5.197 412 HD11 ILE 60 1HD1 ILE 60 -6.354 -8.750 2.789 413 HD12 ILE 60 2HD1 ILE 60 -5.374 -9.515 4.040 414 HD13 ILE 60 3HD1 ILE 60 -6.492 -10.483 3.081 415 HA PRO 61 HA PRO 61 -10.541 -3.949 6.852 416 HB2 PRO 61 1HB PRO 61 -9.210 -3.475 9.170 417 HB3 PRO 61 2HB PRO 61 -10.670 -4.467 9.086 418 HG2 PRO 61 1HG PRO 61 -7.803 -5.322 9.189 419 HG3 PRO 61 2HG PRO 61 -9.201 -5.989 10.052 420 HD2 PRO 61 1HD PRO 61 -8.171 -7.147 7.831 421 HD3 PRO 61 2HD PRO 61 -9.900 -7.214 8.229 422 H GLU 62 H GLU 62 -9.613 -1.784 7.107 423 HA GLU 62 HA GLU 62 -7.271 -1.468 5.483 424 HB2 GLU 62 1HB GLU 62 -9.027 0.518 6.927 425 HB3 GLU 62 2HB GLU 62 -7.657 0.984 5.928 426 HG2 GLU 62 1HG GLU 62 -8.681 0.164 3.968 427 HG3 GLU 62 2HG GLU 62 -9.926 -0.681 4.885 428 H GLU 63 H GLU 63 -5.285 -0.590 6.060 429 HA GLU 63 HA GLU 63 -4.479 -1.124 8.783 430 HB2 GLU 63 1HB GLU 63 -3.052 -1.789 6.889 431 HB3 GLU 63 2HB GLU 63 -2.871 -0.100 6.436 432 HG2 GLU 63 1HG GLU 63 -0.976 -1.183 7.739 433 HG3 GLU 63 2HG GLU 63 -1.556 0.385 8.296 434 H THR 64 H THR 64 -4.997 0.374 10.251 435 HA THR 64 HA THR 64 -5.240 3.150 9.667 436 HB THR 64 HB THR 64 -5.209 3.295 12.273 437 HG1 THR 64 1HG THR 64 -5.862 0.556 12.083 438 HG21 THR 64 1HG2 THR 64 -7.559 2.458 12.346 439 HG22 THR 64 2HG2 THR 64 -7.334 1.821 10.717 440 HG23 THR 64 3HG2 THR 64 -7.237 3.557 11.007 441 H TRP 65 H TRP 65 -3.663 4.584 9.457 442 HA TRP 65 HA TRP 65 -1.072 4.024 10.741 443 HB2 TRP 65 1HB TRP 65 -0.180 5.634 8.972 444 HB3 TRP 65 2HB TRP 65 -0.726 4.059 8.403 445 HD1 TRP 65 HD TRP 65 -3.040 3.998 7.004 446 HE1 TRP 65 1HE TRP 65 -4.236 5.823 5.638 447 HE3 TRP 65 3HE TRP 65 -0.647 8.111 8.873 448 HZ2 TRP 65 2HZ TRP 65 -4.174 8.633 5.386 449 HZ3 TRP 65 3HZ TRP 65 -1.274 10.331 8.016 450 HH2 TRP 65 HH TRP 65 -3.000 10.585 6.308 451 H THR 66 H THR 66 -3.449 5.393 11.887 452 HA THR 66 HA THR 66 -2.996 8.180 11.994 453 HB THR 66 HB THR 66 -5.143 7.106 12.635 454 HG1 THR 66 1HG THR 66 -5.417 8.468 14.542 455 HG21 THR 66 1HG2 THR 66 -3.996 6.503 15.327 456 HG22 THR 66 2HG2 THR 66 -3.821 5.320 14.030 457 HG23 THR 66 3HG2 THR 66 -5.427 5.839 14.541 458 H GLY 67 H GLY 67 -1.633 5.482 13.728 459 HA2 GLY 67 1HA GLY 67 0.644 6.711 14.603 460 HA3 GLY 67 2HA GLY 67 -0.530 7.055 15.865 461 H LEU 68 H LEU 68 1.508 4.678 14.426 462 HA LEU 68 HA LEU 68 0.630 2.715 16.441 463 HB2 LEU 68 1HB LEU 68 1.452 0.970 14.965 464 HB3 LEU 68 2HB LEU 68 0.232 1.957 14.163 465 HG LEU 68 HG LEU 68 3.128 2.550 13.723 466 HD11 LEU 68 1HD1 LEU 68 3.226 0.281 13.240 467 HD12 LEU 68 2HD1 LEU 68 2.861 1.011 11.677 468 HD13 LEU 68 3HD1 LEU 68 1.579 0.241 12.611 469 HD21 LEU 68 1HD2 LEU 68 1.985 4.132 12.586 470 HD22 LEU 68 2HD2 LEU 68 0.526 3.148 12.464 471 HD23 LEU 68 3HD2 LEU 68 1.878 2.861 11.368 472 H GLU 69 H GLU 69 3.278 4.499 15.098 473 HA GLU 69 HA GLU 69 5.086 3.233 17.052 474 HB2 GLU 69 1HB GLU 69 5.581 2.861 14.565 475 HB3 GLU 69 2HB GLU 69 6.004 4.566 14.512 476 HG2 GLU 69 1HG GLU 69 7.944 3.059 14.786 477 HG3 GLU 69 2HG GLU 69 7.779 4.248 16.077 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -18.845 11.451 -7.298 2 HA2 GLY 1 1HA GLY 1 -18.064 13.344 -8.966 3 HA3 GLY 1 2HA GLY 1 -17.999 14.244 -7.458 4 H SER 2 H SER 2 -15.770 14.554 -7.590 5 HA SER 2 HA SER 2 -14.189 12.143 -6.999 6 HB2 SER 2 1HB SER 2 -13.472 14.412 -8.862 7 HB3 SER 2 2HB SER 2 -12.285 13.265 -8.242 8 HG SER 2 HG SER 2 -13.059 12.574 -10.248 9 H SER 3 H SER 3 -11.983 12.795 -6.062 10 HA SER 3 HA SER 3 -12.499 14.729 -3.930 11 HB2 SER 3 1HB SER 3 -10.504 13.686 -2.845 12 HB3 SER 3 2HB SER 3 -11.798 12.535 -3.180 13 HG SER 3 HG SER 3 -10.642 11.719 -4.862 14 H GLY 4 H GLY 4 -10.449 14.185 -6.689 15 HA2 GLY 4 1HA GLY 4 -9.452 16.072 -7.803 16 HA3 GLY 4 2HA GLY 4 -9.245 16.834 -6.233 17 H SER 5 H SER 5 -7.072 16.973 -7.603 18 HA SER 5 HA SER 5 -5.386 14.715 -6.736 19 HB2 SER 5 1HB SER 5 -3.970 15.052 -8.619 20 HB3 SER 5 2HB SER 5 -5.619 15.098 -9.244 21 HG SER 5 HG SER 5 -3.773 16.930 -9.525 22 H SER 6 H SER 6 -3.019 15.426 -6.491 23 HA SER 6 HA SER 6 -2.946 18.014 -5.081 24 HB2 SER 6 1HB SER 6 -1.547 17.089 -3.407 25 HB3 SER 6 2HB SER 6 -2.822 15.895 -3.649 26 HG SER 6 HG SER 6 -0.234 15.513 -3.827 27 H GLY 7 H GLY 7 -0.938 19.159 -5.103 28 HA2 GLY 7 1HA GLY 7 0.707 18.486 -7.461 29 HA3 GLY 7 2HA GLY 7 0.407 20.122 -6.894 30 H GLU 8 H GLU 8 1.364 17.217 -5.089 31 HA GLU 8 HA GLU 8 3.620 18.738 -4.002 32 HB2 GLU 8 1HB GLU 8 2.132 17.767 -2.348 33 HB3 GLU 8 2HB GLU 8 2.316 16.176 -3.072 34 HG2 GLU 8 1HG GLU 8 4.421 15.874 -2.220 35 HG3 GLU 8 2HG GLU 8 4.740 17.603 -2.103 36 H ILE 9 H ILE 9 5.561 18.427 -4.844 37 HA ILE 9 HA ILE 9 6.147 16.414 -6.732 38 HB ILE 9 HB ILE 9 8.475 17.171 -6.579 39 HG12 ILE 9 1HG1 ILE 9 8.636 19.316 -4.982 40 HG13 ILE 9 2HG1 ILE 9 7.455 18.389 -4.064 41 HG21 ILE 9 1HG2 ILE 9 7.253 19.793 -6.502 42 HG22 ILE 9 2HG2 ILE 9 7.956 18.916 -7.860 43 HG23 ILE 9 3HG2 ILE 9 6.274 18.640 -7.409 44 HD11 ILE 9 1HD1 ILE 9 10.216 18.144 -3.978 45 HD12 ILE 9 2HD1 ILE 9 9.028 17.052 -3.267 46 HD13 ILE 9 3HD1 ILE 9 9.665 16.732 -4.880 47 H SER 10 H SER 10 8.124 14.959 -6.472 48 HA SER 10 HA SER 10 8.332 13.822 -3.782 49 HB2 SER 10 1HB SER 10 7.540 12.292 -6.266 50 HB3 SER 10 2HB SER 10 8.126 11.513 -4.796 51 HG SER 10 HG SER 10 6.358 12.303 -3.694 52 H GLY 11 H GLY 11 10.146 12.281 -3.583 53 HA2 GLY 11 1HA GLY 11 12.391 13.202 -5.232 54 HA3 GLY 11 2HA GLY 11 12.517 12.426 -3.660 55 H PHE 12 H PHE 12 14.111 11.030 -4.600 56 HA PHE 12 HA PHE 12 13.012 9.003 -6.427 57 HB2 PHE 12 1HB PHE 12 15.386 8.422 -6.890 58 HB3 PHE 12 2HB PHE 12 14.987 10.083 -7.317 59 HD1 PHE 12 1HD PHE 12 16.840 7.929 -5.016 60 HD2 PHE 12 2HD PHE 12 15.922 11.941 -6.100 61 HE1 PHE 12 1HE PHE 12 18.708 8.727 -3.628 62 HE2 PHE 12 2HE PHE 12 17.789 12.746 -4.715 63 HZ PHE 12 HZ PHE 12 19.185 11.139 -3.477 64 H GLY 13 H GLY 13 13.273 6.800 -5.978 65 HA2 GLY 13 1HA GLY 13 14.479 5.215 -4.390 66 HA3 GLY 13 2HA GLY 13 13.790 6.228 -3.130 67 H GLN 14 H GLN 14 11.958 5.537 -2.258 68 HA GLN 14 HA GLN 14 10.486 3.403 -3.597 69 HB2 GLN 14 1HB GLN 14 9.995 4.490 -0.828 70 HB3 GLN 14 2HB GLN 14 9.488 2.939 -1.482 71 HG2 GLN 14 1HG GLN 14 11.966 2.410 -1.713 72 HG3 GLN 14 2HG GLN 14 12.241 3.817 -0.686 73 HE21 GLN 14 1HE2 GLN 14 12.994 2.796 1.092 74 HE22 GLN 14 2HE2 GLN 14 12.067 1.689 2.041 75 H CYS 15 H CYS 15 8.280 3.488 -4.032 76 HA CYS 15 HA CYS 15 7.106 6.191 -3.993 77 HB2 CYS 15 1HB CYS 15 6.987 4.022 -6.074 78 HB3 CYS 15 2HB CYS 15 5.750 5.271 -5.996 79 HG CYS 15 HG CYS 15 7.280 6.272 -7.937 80 H LEU 16 H LEU 16 5.833 6.108 -2.214 81 HA LEU 16 HA LEU 16 4.298 3.800 -1.505 82 HB2 LEU 16 1HB LEU 16 5.229 5.785 -0.050 83 HB3 LEU 16 2HB LEU 16 3.673 6.514 -0.444 84 HG LEU 16 HG LEU 16 2.647 4.353 0.491 85 HD11 LEU 16 1HD1 LEU 16 4.145 2.771 0.980 86 HD12 LEU 16 2HD1 LEU 16 4.480 3.724 2.425 87 HD13 LEU 16 3HD1 LEU 16 5.488 3.915 0.991 88 HD21 LEU 16 1HD2 LEU 16 4.095 6.198 2.387 89 HD22 LEU 16 2HD2 LEU 16 2.653 5.243 2.733 90 HD23 LEU 16 3HD2 LEU 16 2.574 6.573 1.577 91 H VAL 17 H VAL 17 2.937 3.308 -3.212 92 HA VAL 17 HA VAL 17 0.925 5.329 -3.932 93 HB VAL 17 HB VAL 17 0.408 3.831 -5.859 94 HG11 VAL 17 1HG1 VAL 17 2.751 4.227 -6.961 95 HG12 VAL 17 2HG1 VAL 17 1.733 5.595 -6.506 96 HG13 VAL 17 3HG1 VAL 17 3.074 5.109 -5.468 97 HG21 VAL 17 1HG2 VAL 17 2.885 2.381 -5.865 98 HG22 VAL 17 2HG2 VAL 17 1.965 1.999 -4.409 99 HG23 VAL 17 3HG2 VAL 17 1.235 1.772 -5.998 100 H TRP 18 H TRP 18 -1.248 4.914 -3.745 101 HA TRP 18 HA TRP 18 -1.989 2.403 -2.392 102 HB2 TRP 18 1HB TRP 18 -3.128 5.158 -1.873 103 HB3 TRP 18 2HB TRP 18 -3.671 3.665 -1.112 104 HD1 TRP 18 HD TRP 18 -0.506 5.889 -1.277 105 HE1 TRP 18 1HE TRP 18 0.776 5.613 0.937 106 HE3 TRP 18 3HE TRP 18 -3.401 2.277 0.891 107 HZ2 TRP 18 2HZ TRP 18 0.586 4.067 3.292 108 HZ3 TRP 18 3HZ TRP 18 -2.782 1.453 3.126 109 HH2 TRP 18 HH TRP 18 -0.829 2.331 4.299 110 H VAL 19 H VAL 19 -3.834 1.391 -3.062 111 HA VAL 19 HA VAL 19 -5.303 2.656 -5.284 112 HB VAL 19 HB VAL 19 -5.704 0.285 -6.100 113 HG11 VAL 19 1HG1 VAL 19 -2.929 1.459 -6.151 114 HG12 VAL 19 2HG1 VAL 19 -3.475 0.156 -7.208 115 HG13 VAL 19 3HG1 VAL 19 -4.233 1.746 -7.302 116 HG21 VAL 19 1HG2 VAL 19 -4.027 -1.389 -5.438 117 HG22 VAL 19 2HG2 VAL 19 -3.410 -0.273 -4.221 118 HG23 VAL 19 3HG2 VAL 19 -5.051 -0.904 -4.087 119 H GLN 20 H GLN 20 -7.454 2.755 -5.088 120 HA GLN 20 HA GLN 20 -8.670 1.596 -2.706 121 HB2 GLN 20 1HB GLN 20 -8.975 4.027 -3.450 122 HB3 GLN 20 2HB GLN 20 -10.026 3.391 -4.709 123 HG2 GLN 20 1HG GLN 20 -11.175 2.200 -2.654 124 HG3 GLN 20 2HG GLN 20 -10.449 3.546 -1.778 125 HE21 GLN 20 1HE2 GLN 20 -12.066 4.886 -1.358 126 HE22 GLN 20 2HE2 GLN 20 -13.183 5.509 -2.519 127 H CYS 21 H CYS 21 -10.042 -0.076 -2.719 128 HA CYS 21 HA CYS 21 -10.264 -1.830 -4.838 129 HB2 CYS 21 1HB CYS 21 -10.827 -2.226 -2.381 130 HB3 CYS 21 2HB CYS 21 -12.402 -1.522 -2.732 131 H SER 22 H SER 22 -12.056 -2.411 -6.194 132 HA SER 22 HA SER 22 -13.334 -0.093 -7.340 133 HB2 SER 22 1HB SER 22 -12.638 -1.545 -9.012 134 HB3 SER 22 2HB SER 22 -13.089 -2.982 -8.094 135 HG SER 22 HG SER 22 -14.961 -2.921 -9.026 136 H PHE 23 H PHE 23 -14.215 -2.758 -5.289 137 HA PHE 23 HA PHE 23 -17.039 -2.512 -5.630 138 HB2 PHE 23 1HB PHE 23 -15.409 -3.815 -3.441 139 HB3 PHE 23 2HB PHE 23 -17.157 -3.955 -3.601 140 HD1 PHE 23 1HD PHE 23 -17.893 -4.685 -6.089 141 HD2 PHE 23 2HD PHE 23 -14.170 -5.567 -4.225 142 HE1 PHE 23 1HE PHE 23 -17.602 -6.612 -7.591 143 HE2 PHE 23 2HE PHE 23 -13.872 -7.495 -5.724 144 HZ PHE 23 HZ PHE 23 -15.589 -8.019 -7.410 145 HA PRO 24 HA PRO 24 -17.849 0.960 -3.050 146 HB2 PRO 24 1HB PRO 24 -20.433 0.430 -2.409 147 HB3 PRO 24 2HB PRO 24 -19.936 0.995 -4.009 148 HG2 PRO 24 1HG PRO 24 -20.549 -1.787 -3.089 149 HG3 PRO 24 2HG PRO 24 -21.021 -0.977 -4.594 150 HD2 PRO 24 1HD PRO 24 -18.956 -2.724 -4.465 151 HD3 PRO 24 2HD PRO 24 -18.970 -1.344 -5.581 152 H ASN 25 H ASN 25 -19.136 -2.125 -1.796 153 HA ASN 25 HA ASN 25 -19.290 -1.401 0.886 154 HB2 ASN 25 1HB ASN 25 -19.045 -3.903 1.308 155 HB3 ASN 25 2HB ASN 25 -20.352 -3.417 0.233 156 HD21 ASN 25 1HD2 ASN 25 -17.594 -5.321 0.601 157 HD22 ASN 25 2HD2 ASN 25 -17.469 -5.892 -1.025 158 H CYS 26 H CYS 26 -16.545 -2.179 -1.061 159 HA CYS 26 HA CYS 26 -14.803 -2.646 1.212 160 HB2 CYS 26 1HB CYS 26 -14.680 -3.063 -1.662 161 HB3 CYS 26 2HB CYS 26 -13.205 -2.323 -1.048 162 H GLY 27 H GLY 27 -14.283 -0.518 -1.588 163 HA2 GLY 27 1HA GLY 27 -13.348 1.578 -1.721 164 HA3 GLY 27 2HA GLY 27 -14.373 1.944 -0.341 165 H LYS 28 H LYS 28 -11.878 -0.481 -0.156 166 HA LYS 28 HA LYS 28 -10.507 1.143 1.849 167 HB2 LYS 28 1HB LYS 28 -10.159 -1.769 1.112 168 HB3 LYS 28 2HB LYS 28 -9.348 -0.950 2.441 169 HG2 LYS 28 1HG LYS 28 -11.539 -0.518 3.478 170 HG3 LYS 28 2HG LYS 28 -12.311 -1.415 2.169 171 HD2 LYS 28 1HD LYS 28 -11.099 -3.425 2.804 172 HD3 LYS 28 2HD LYS 28 -10.252 -2.535 4.072 173 HE2 LYS 28 1HE LYS 28 -12.136 -3.882 4.931 174 HE3 LYS 28 2HE LYS 28 -12.322 -2.158 5.250 175 HZ1 LYS 28 1HZ LYS 28 -13.601 -3.573 2.976 176 HZ2 LYS 28 2HZ LYS 28 -13.876 -1.978 3.466 177 HZ3 LYS 28 3HZ LYS 28 -14.370 -3.262 4.450 178 H TRP 29 H TRP 29 -8.318 1.631 1.764 179 HA TRP 29 HA TRP 29 -7.185 1.624 -0.930 180 HB2 TRP 29 1HB TRP 29 -6.544 3.177 1.573 181 HB3 TRP 29 2HB TRP 29 -5.488 3.197 0.164 182 HD1 TRP 29 HD TRP 29 -8.757 4.596 1.466 183 HE1 TRP 29 1HE TRP 29 -9.669 6.318 -0.215 184 HE3 TRP 29 3HE TRP 29 -5.537 3.731 -2.410 185 HZ2 TRP 29 2HZ TRP 29 -9.099 7.195 -2.837 186 HZ3 TRP 29 3HZ TRP 29 -5.789 5.054 -4.469 187 HH2 TRP 29 HH TRP 29 -7.534 6.749 -4.677 188 H ARG 30 H ARG 30 -6.141 -0.239 -1.333 189 HA ARG 30 HA ARG 30 -4.618 -1.592 0.712 190 HB2 ARG 30 1HB ARG 30 -4.833 -2.198 -2.242 191 HB3 ARG 30 2HB ARG 30 -4.172 -3.262 -1.008 192 HG2 ARG 30 1HG ARG 30 -7.007 -2.285 -0.917 193 HG3 ARG 30 2HG ARG 30 -6.533 -3.733 -1.807 194 HD2 ARG 30 1HD ARG 30 -6.974 -4.754 0.155 195 HD3 ARG 30 2HD ARG 30 -5.342 -4.222 0.556 196 HE ARG 30 HE ARG 30 -6.839 -2.135 1.348 197 HH11 ARG 30 1HH1 ARG 30 -7.092 -5.559 1.926 198 HH12 ARG 30 2HH1 ARG 30 -7.828 -5.374 3.483 199 HH21 ARG 30 1HH2 ARG 30 -7.807 -1.878 3.398 200 HH22 ARG 30 2HH2 ARG 30 -8.235 -3.280 4.319 201 H ARG 31 H ARG 31 -2.491 -1.451 1.066 202 HA ARG 31 HA ARG 31 -0.955 0.551 -0.264 203 HB2 ARG 31 1HB ARG 31 -0.819 -0.484 2.192 204 HB3 ARG 31 2HB ARG 31 0.383 -1.508 1.417 205 HG2 ARG 31 1HG ARG 31 0.429 1.503 1.408 206 HG3 ARG 31 2HG ARG 31 1.350 0.477 2.510 207 HD2 ARG 31 1HD ARG 31 1.622 0.721 -0.475 208 HD3 ARG 31 2HD ARG 31 2.827 1.079 0.761 209 HE ARG 31 HE ARG 31 2.303 -1.452 -0.423 210 HH11 ARG 31 1HH1 ARG 31 3.262 0.080 2.552 211 HH12 ARG 31 2HH1 ARG 31 4.139 -1.297 3.131 212 HH21 ARG 31 1HH2 ARG 31 3.454 -3.272 0.328 213 HH22 ARG 31 2HH2 ARG 31 4.249 -3.203 1.865 214 H LEU 32 H LEU 32 0.186 0.365 -2.069 215 HA LEU 32 HA LEU 32 0.857 -2.332 -3.034 216 HB2 LEU 32 1HB LEU 32 0.179 0.228 -4.409 217 HB3 LEU 32 2HB LEU 32 1.190 -0.955 -5.236 218 HG LEU 32 HG LEU 32 -1.613 -1.431 -4.224 219 HD11 LEU 32 1HD1 LEU 32 -2.310 -1.367 -6.489 220 HD12 LEU 32 2HD1 LEU 32 -0.648 -1.271 -7.070 221 HD13 LEU 32 3HD1 LEU 32 -1.361 0.093 -6.208 222 HD21 LEU 32 1HD2 LEU 32 -1.069 -3.434 -5.960 223 HD22 LEU 32 2HD2 LEU 32 -0.896 -3.563 -4.209 224 HD23 LEU 32 3HD2 LEU 32 0.512 -3.207 -5.212 225 H CYS 33 H CYS 33 2.817 -2.137 -4.678 226 HA CYS 33 HA CYS 33 5.003 -0.942 -3.131 227 HB2 CYS 33 1HB CYS 33 4.841 -3.466 -3.863 228 HB3 CYS 33 2HB CYS 33 5.456 -2.849 -5.392 229 HG CYS 33 HG CYS 33 7.371 -3.994 -3.394 230 H GLY 34 H GLY 34 6.781 0.075 -4.275 231 HA2 GLY 34 1HA GLY 34 5.971 2.086 -6.024 232 HA3 GLY 34 2HA GLY 34 7.639 1.595 -5.765 233 H ASN 35 H ASN 35 6.977 -1.171 -6.704 234 HA ASN 35 HA ASN 35 7.738 -0.855 -9.390 235 HB2 ASN 35 1HB ASN 35 6.455 -3.284 -8.121 236 HB3 ASN 35 2HB ASN 35 7.427 -3.259 -9.589 237 HD21 ASN 35 1HD2 ASN 35 7.445 -3.681 -6.272 238 HD22 ASN 35 2HD2 ASN 35 9.152 -3.637 -6.013 239 H ILE 36 H ILE 36 4.636 -0.948 -7.858 240 HA ILE 36 HA ILE 36 3.262 -1.269 -10.423 241 HB ILE 36 HB ILE 36 2.099 -1.095 -7.641 242 HG12 ILE 36 1HG1 ILE 36 1.594 -3.615 -8.438 243 HG13 ILE 36 2HG1 ILE 36 3.106 -3.343 -9.298 244 HG21 ILE 36 1HG2 ILE 36 0.330 -0.477 -8.952 245 HG22 ILE 36 2HG2 ILE 36 0.912 -1.374 -10.353 246 HG23 ILE 36 3HG2 ILE 36 0.157 -2.231 -9.010 247 HD11 ILE 36 1HD1 ILE 36 2.635 -3.859 -6.496 248 HD12 ILE 36 2HD1 ILE 36 4.129 -3.952 -7.430 249 HD13 ILE 36 3HD1 ILE 36 3.611 -2.412 -6.745 250 H ASP 37 H ASP 37 1.879 0.276 -11.269 251 HA ASP 37 HA ASP 37 1.859 2.905 -9.956 252 HB2 ASP 37 1HB ASP 37 3.253 2.250 -12.345 253 HB3 ASP 37 2HB ASP 37 1.887 3.269 -12.792 254 HA PRO 38 HA PRO 38 -2.454 2.904 -10.784 255 HB2 PRO 38 1HB PRO 38 -2.923 5.573 -10.946 256 HB3 PRO 38 2HB PRO 38 -2.580 4.749 -9.421 257 HG2 PRO 38 1HG PRO 38 -0.741 6.332 -11.173 258 HG3 PRO 38 2HG PRO 38 -0.892 6.348 -9.406 259 HD2 PRO 38 1HD PRO 38 1.071 4.994 -10.689 260 HD3 PRO 38 2HD PRO 38 0.370 4.436 -9.156 261 H SER 39 H SER 39 -0.234 4.433 -12.973 262 HA SER 39 HA SER 39 -2.158 5.043 -15.004 263 HB2 SER 39 1HB SER 39 0.823 5.086 -14.802 264 HB3 SER 39 2HB SER 39 0.090 5.103 -16.406 265 HG SER 39 HG SER 39 -1.251 6.890 -15.406 266 H VAL 40 H VAL 40 -0.222 2.285 -14.153 267 HA VAL 40 HA VAL 40 -1.056 0.910 -16.618 268 HB VAL 40 HB VAL 40 0.694 -0.747 -16.107 269 HG11 VAL 40 1HG1 VAL 40 2.600 1.220 -16.111 270 HG12 VAL 40 2HG1 VAL 40 1.742 0.624 -17.533 271 HG13 VAL 40 3HG1 VAL 40 1.173 2.072 -16.700 272 HG21 VAL 40 1HG2 VAL 40 0.561 0.253 -13.547 273 HG22 VAL 40 2HG2 VAL 40 1.792 -0.850 -14.162 274 HG23 VAL 40 3HG2 VAL 40 2.094 0.887 -14.145 275 H LEU 41 H LEU 41 -2.879 1.318 -14.461 276 HA LEU 41 HA LEU 41 -3.242 -1.459 -13.542 277 HB2 LEU 41 1HB LEU 41 -3.661 1.147 -12.154 278 HB3 LEU 41 2HB LEU 41 -4.692 -0.221 -11.737 279 HG LEU 41 HG LEU 41 -1.694 -0.402 -11.632 280 HD11 LEU 41 1HD1 LEU 41 -3.505 1.039 -9.848 281 HD12 LEU 41 2HD1 LEU 41 -1.750 1.121 -9.997 282 HD13 LEU 41 3HD1 LEU 41 -2.494 -0.156 -9.034 283 HD21 LEU 41 1HD2 LEU 41 -3.837 -1.915 -10.149 284 HD22 LEU 41 2HD2 LEU 41 -2.108 -2.261 -10.181 285 HD23 LEU 41 3HD2 LEU 41 -3.078 -2.474 -11.639 286 HA PRO 42 HA PRO 42 -7.121 -1.548 -15.596 287 HB2 PRO 42 1HB PRO 42 -8.549 -3.165 -13.948 288 HB3 PRO 42 2HB PRO 42 -7.253 -3.761 -14.993 289 HG2 PRO 42 1HG PRO 42 -7.181 -3.105 -12.073 290 HG3 PRO 42 2HG PRO 42 -6.475 -4.489 -12.926 291 HD2 PRO 42 1HD PRO 42 -5.010 -2.340 -12.174 292 HD3 PRO 42 2HD PRO 42 -4.645 -3.280 -13.635 293 H ASP 43 H ASP 43 -9.567 -1.366 -15.090 294 HA ASP 43 HA ASP 43 -9.912 1.009 -13.419 295 HB2 ASP 43 1HB ASP 43 -11.321 -0.133 -15.776 296 HB3 ASP 43 2HB ASP 43 -12.290 0.788 -14.629 297 H ASN 44 H ASN 44 -10.793 -2.335 -13.602 298 HA ASN 44 HA ASN 44 -12.697 -2.003 -11.389 299 HB2 ASN 44 1HB ASN 44 -13.396 -4.337 -11.940 300 HB3 ASN 44 2HB ASN 44 -13.640 -3.199 -13.262 301 HD21 ASN 44 1HD2 ASN 44 -12.576 -6.200 -12.517 302 HD22 ASN 44 2HD2 ASN 44 -11.533 -6.487 -13.864 303 H TRP 45 H TRP 45 -9.906 -1.785 -10.910 304 HA TRP 45 HA TRP 45 -8.739 -4.179 -10.002 305 HB2 TRP 45 1HB TRP 45 -7.515 -2.037 -10.418 306 HB3 TRP 45 2HB TRP 45 -8.232 -1.391 -8.944 307 HD1 TRP 45 HD TRP 45 -5.425 -3.590 -10.172 308 HE1 TRP 45 1HE TRP 45 -3.989 -4.342 -8.173 309 HE3 TRP 45 3HE TRP 45 -8.444 -2.005 -6.363 310 HZ2 TRP 45 2HZ TRP 45 -4.119 -4.273 -5.354 311 HZ3 TRP 45 3HZ TRP 45 -7.716 -2.386 -4.044 312 HH2 TRP 45 HH TRP 45 -5.598 -3.497 -3.552 313 H SER 46 H SER 46 -8.575 -5.086 -7.949 314 HA SER 46 HA SER 46 -10.290 -4.004 -5.840 315 HB2 SER 46 1HB SER 46 -11.062 -6.445 -5.442 316 HB3 SER 46 2HB SER 46 -11.819 -5.534 -6.748 317 HG SER 46 HG SER 46 -10.142 -7.728 -6.854 318 H CYS 47 H CYS 47 -10.038 -5.537 -3.819 319 HA CYS 47 HA CYS 47 -7.380 -5.344 -2.969 320 HB2 CYS 47 1HB CYS 47 -9.512 -7.147 -1.809 321 HB3 CYS 47 2HB CYS 47 -8.087 -6.530 -0.980 322 H ASP 48 H ASP 48 -9.117 -7.936 -4.526 323 HA ASP 48 HA ASP 48 -7.336 -10.043 -3.934 324 HB2 ASP 48 1HB ASP 48 -9.519 -10.581 -4.757 325 HB3 ASP 48 2HB ASP 48 -9.270 -9.624 -6.214 326 H GLN 49 H GLN 49 -7.045 -7.336 -5.981 327 HA GLN 49 HA GLN 49 -4.948 -8.596 -7.592 328 HB2 GLN 49 1HB GLN 49 -6.434 -5.986 -7.847 329 HB3 GLN 49 2HB GLN 49 -5.017 -6.361 -8.818 330 HG2 GLN 49 1HG GLN 49 -6.126 -8.235 -9.820 331 HG3 GLN 49 2HG GLN 49 -7.509 -8.043 -8.744 332 HE21 GLN 49 1HE2 GLN 49 -9.187 -7.220 -9.744 333 HE22 GLN 49 2HE2 GLN 49 -9.154 -6.018 -10.985 334 H ASN 50 H ASN 50 -4.695 -7.858 -4.714 335 HA ASN 50 HA ASN 50 -2.751 -5.688 -4.779 336 HB2 ASN 50 1HB ASN 50 -4.583 -6.183 -2.938 337 HB3 ASN 50 2HB ASN 50 -3.339 -7.256 -2.302 338 HD21 ASN 50 1HD2 ASN 50 -2.444 -6.284 -0.634 339 HD22 ASN 50 2HD2 ASN 50 -1.895 -4.647 -0.587 340 H THR 51 H THR 51 -0.610 -5.930 -3.953 341 HA THR 51 HA THR 51 0.538 -8.527 -4.612 342 HB THR 51 HB THR 51 2.722 -7.365 -4.457 343 HG1 THR 51 1HG THR 51 2.247 -5.746 -2.967 344 HG21 THR 51 1HG2 THR 51 1.655 -7.436 -6.611 345 HG22 THR 51 2HG2 THR 51 2.365 -5.836 -6.398 346 HG23 THR 51 3HG2 THR 51 0.628 -6.064 -6.198 347 H ASP 52 H ASP 52 -0.207 -6.596 -1.862 348 HA ASP 52 HA ASP 52 1.609 -8.045 -0.112 349 HB2 ASP 52 1HB ASP 52 1.128 -5.569 0.128 350 HB3 ASP 52 2HB ASP 52 -0.481 -6.018 0.686 351 H VAL 53 H VAL 53 1.015 -10.045 0.422 352 HA VAL 53 HA VAL 53 -1.539 -11.127 0.313 353 HB VAL 53 HB VAL 53 -0.703 -12.958 1.694 354 HG11 VAL 53 1HG1 VAL 53 0.850 -11.868 -0.569 355 HG12 VAL 53 2HG1 VAL 53 1.610 -13.166 0.353 356 HG13 VAL 53 3HG1 VAL 53 0.033 -13.421 -0.395 357 HG21 VAL 53 1HG2 VAL 53 0.492 -11.715 3.382 358 HG22 VAL 53 2HG2 VAL 53 1.593 -12.860 2.615 359 HG23 VAL 53 3HG2 VAL 53 1.661 -11.151 2.188 360 H GLN 54 H GLN 54 -0.053 -9.184 2.768 361 HA GLN 54 HA GLN 54 -1.716 -9.887 4.941 362 HB2 GLN 54 1HB GLN 54 -0.373 -7.224 4.462 363 HB3 GLN 54 2HB GLN 54 -0.897 -7.880 6.007 364 HG2 GLN 54 1HG GLN 54 0.754 -9.836 5.276 365 HG3 GLN 54 2HG GLN 54 1.496 -8.505 4.391 366 HE21 GLN 54 1HE2 GLN 54 3.153 -9.396 6.079 367 HE22 GLN 54 2HE2 GLN 54 3.231 -8.493 7.549 368 H TYR 55 H TYR 55 -2.213 -7.922 2.155 369 HA TYR 55 HA TYR 55 -4.932 -7.357 3.049 370 HB2 TYR 55 1HB TYR 55 -3.081 -5.204 2.004 371 HB3 TYR 55 2HB TYR 55 -4.791 -5.001 2.369 372 HD1 TYR 55 1HD TYR 55 -1.463 -5.603 3.849 373 HD2 TYR 55 2HD TYR 55 -5.542 -4.658 4.605 374 HE1 TYR 55 1HE TYR 55 -0.891 -5.015 6.168 375 HE2 TYR 55 2HE TYR 55 -4.981 -4.066 6.925 376 HH TYR 55 HH TYR 55 -2.878 -4.876 8.572 377 H ASN 56 H ASN 56 -4.473 -9.272 1.298 378 HA ASN 56 HA ASN 56 -4.918 -8.086 -1.359 379 HB2 ASN 56 1HB ASN 56 -3.923 -9.942 -2.352 380 HB3 ASN 56 2HB ASN 56 -2.954 -9.735 -0.895 381 HD21 ASN 56 1HD2 ASN 56 -3.448 -11.094 0.933 382 HD22 ASN 56 2HD2 ASN 56 -4.101 -12.672 0.669 383 H ARG 57 H ARG 57 -6.856 -8.617 0.889 384 HA ARG 57 HA ARG 57 -8.784 -10.153 -0.712 385 HB2 ARG 57 1HB ARG 57 -8.456 -10.345 2.288 386 HB3 ARG 57 2HB ARG 57 -9.688 -11.159 1.333 387 HG2 ARG 57 1HG ARG 57 -7.071 -11.753 0.306 388 HG3 ARG 57 2HG ARG 57 -7.164 -12.120 2.030 389 HD2 ARG 57 1HD ARG 57 -9.257 -13.394 1.574 390 HD3 ARG 57 2HD ARG 57 -8.988 -13.129 -0.148 391 HE ARG 57 HE ARG 57 -6.749 -14.335 1.181 392 HH11 ARG 57 1HH1 ARG 57 -9.812 -14.937 -0.360 393 HH12 ARG 57 2HH1 ARG 57 -9.426 -16.573 -0.781 394 HH21 ARG 57 1HH2 ARG 57 -6.229 -16.487 0.633 395 HH22 ARG 57 2HH2 ARG 57 -7.389 -17.454 -0.214 396 H CYS 58 H CYS 58 -11.003 -9.595 -0.361 397 HA CYS 58 HA CYS 58 -11.348 -6.781 0.181 398 HB2 CYS 58 1HB CYS 58 -13.159 -8.962 -0.832 399 HB3 CYS 58 2HB CYS 58 -13.790 -7.375 -0.404 400 H ASP 59 H ASP 59 -11.207 -9.404 2.127 401 HA ASP 59 HA ASP 59 -13.340 -8.532 3.936 402 HB2 ASP 59 1HB ASP 59 -12.902 -11.001 3.263 403 HB3 ASP 59 2HB ASP 59 -11.566 -10.911 4.407 404 H ILE 60 H ILE 60 -9.906 -8.531 3.556 405 HA ILE 60 HA ILE 60 -9.176 -8.155 6.266 406 HB ILE 60 HB ILE 60 -7.718 -7.302 3.762 407 HG12 ILE 60 1HG1 ILE 60 -7.074 -9.688 5.473 408 HG13 ILE 60 2HG1 ILE 60 -8.288 -9.798 4.203 409 HG21 ILE 60 1HG2 ILE 60 -6.708 -7.601 6.588 410 HG22 ILE 60 2HG2 ILE 60 -5.727 -7.218 5.174 411 HG23 ILE 60 3HG2 ILE 60 -6.952 -6.079 5.731 412 HD11 ILE 60 1HD1 ILE 60 -6.465 -10.483 3.045 413 HD12 ILE 60 2HD1 ILE 60 -6.338 -8.747 2.761 414 HD13 ILE 60 3HD1 ILE 60 -5.349 -9.512 4.005 415 HA PRO 61 HA PRO 61 -10.548 -3.987 6.842 416 HB2 PRO 61 1HB PRO 61 -9.212 -3.504 9.156 417 HB3 PRO 61 2HB PRO 61 -10.665 -4.508 9.077 418 HG2 PRO 61 1HG PRO 61 -7.790 -5.340 9.167 419 HG3 PRO 61 2HG PRO 61 -9.179 -6.019 10.036 420 HD2 PRO 61 1HD PRO 61 -8.150 -7.167 7.810 421 HD3 PRO 61 2HD PRO 61 -9.876 -7.249 8.215 422 H GLU 62 H GLU 62 -9.622 -1.814 7.134 423 HA GLU 62 HA GLU 62 -7.290 -1.480 5.490 424 HB2 GLU 62 1HB GLU 62 -9.109 0.464 6.907 425 HB3 GLU 62 2HB GLU 62 -7.701 0.981 5.990 426 HG2 GLU 62 1HG GLU 62 -8.608 0.200 3.961 427 HG3 GLU 62 2HG GLU 62 -9.873 -0.706 4.790 428 H GLU 63 H GLU 63 -5.262 -0.899 6.077 429 HA GLU 63 HA GLU 63 -4.426 -1.386 8.744 430 HB2 GLU 63 1HB GLU 63 -2.201 -0.560 7.910 431 HB3 GLU 63 2HB GLU 63 -2.895 -1.884 6.986 432 HG2 GLU 63 1HG GLU 63 -3.308 -0.577 5.153 433 HG3 GLU 63 2HG GLU 63 -3.409 0.907 6.098 434 H THR 64 H THR 64 -2.714 0.365 9.624 435 HA THR 64 HA THR 64 -4.170 2.386 10.809 436 HB THR 64 HB THR 64 -1.313 3.001 10.322 437 HG1 THR 64 1HG THR 64 -0.891 1.254 11.978 438 HG21 THR 64 1HG2 THR 64 -2.547 4.273 11.956 439 HG22 THR 64 2HG2 THR 64 -1.368 3.266 12.797 440 HG23 THR 64 3HG2 THR 64 -3.068 2.798 12.769 441 H TRP 65 H TRP 65 -4.151 4.686 10.542 442 HA TRP 65 HA TRP 65 -3.822 5.500 7.730 443 HB2 TRP 65 1HB TRP 65 -5.506 7.313 8.361 444 HB3 TRP 65 2HB TRP 65 -6.121 5.666 8.254 445 HD1 TRP 65 HD TRP 65 -6.705 4.428 10.599 446 HE1 TRP 65 1HE TRP 65 -7.366 5.400 12.890 447 HE3 TRP 65 3HE TRP 65 -5.138 9.247 9.919 448 HZ2 TRP 65 2HZ TRP 65 -7.240 7.881 14.230 449 HZ3 TRP 65 3HZ TRP 65 -5.445 10.857 11.755 450 HH2 TRP 65 HH TRP 65 -6.475 10.186 13.864 451 H THR 66 H THR 66 -1.780 5.524 9.853 452 HA THR 66 HA THR 66 -1.415 8.304 10.555 453 HB THR 66 HB THR 66 -0.682 6.565 12.117 454 HG1 THR 66 1HG THR 66 0.491 8.661 11.808 455 HG21 THR 66 1HG2 THR 66 -0.044 4.830 10.541 456 HG22 THR 66 2HG2 THR 66 1.316 5.210 11.596 457 HG23 THR 66 3HG2 THR 66 1.282 5.827 9.945 458 H GLY 67 H GLY 67 0.346 9.613 9.884 459 HA2 GLY 67 1HA GLY 67 1.858 8.715 7.545 460 HA3 GLY 67 2HA GLY 67 0.818 10.116 7.345 461 H LEU 68 H LEU 68 3.852 9.578 7.396 462 HA LEU 68 HA LEU 68 4.680 11.372 9.536 463 HB2 LEU 68 1HB LEU 68 5.998 9.369 9.119 464 HB3 LEU 68 2HB LEU 68 6.278 9.883 7.457 465 HG LEU 68 HG LEU 68 7.537 11.841 8.339 466 HD11 LEU 68 1HD1 LEU 68 7.166 10.420 10.971 467 HD12 LEU 68 2HD1 LEU 68 6.550 12.013 10.535 468 HD13 LEU 68 3HD1 LEU 68 8.288 11.751 10.686 469 HD21 LEU 68 1HD2 LEU 68 8.577 9.160 9.249 470 HD22 LEU 68 2HD2 LEU 68 9.537 10.595 8.887 471 HD23 LEU 68 3HD2 LEU 68 8.655 9.774 7.598 472 H GLU 69 H GLU 69 5.676 11.184 6.122 473 HA GLU 69 HA GLU 69 5.916 14.082 6.055 474 HB2 GLU 69 1HB GLU 69 7.629 12.435 5.090 475 HB3 GLU 69 2HB GLU 69 6.485 12.197 3.777 476 HG2 GLU 69 1HG GLU 69 6.565 14.792 3.603 477 HG3 GLU 69 2HG GLU 69 8.083 14.612 4.480 Start of MODEL 5 1 H1 GLY 1 H GLY 1 24.930 -2.425 17.764 2 HA2 GLY 1 1HA GLY 1 23.154 -2.961 15.753 3 HA3 GLY 1 2HA GLY 1 23.053 -1.533 16.772 4 H SER 2 H SER 2 24.865 -2.730 13.946 5 HA SER 2 HA SER 2 24.817 0.006 12.868 6 HB2 SER 2 1HB SER 2 26.742 -2.254 12.648 7 HB3 SER 2 2HB SER 2 26.568 -1.199 11.245 8 HG SER 2 HG SER 2 27.872 -0.745 13.548 9 H SER 3 H SER 3 24.229 -3.380 12.041 10 HA SER 3 HA SER 3 22.892 -2.516 9.571 11 HB2 SER 3 1HB SER 3 23.019 -4.947 8.946 12 HB3 SER 3 2HB SER 3 24.590 -4.173 9.157 13 HG SER 3 HG SER 3 23.260 -5.718 11.133 14 H GLY 4 H GLY 4 21.766 -2.340 12.304 15 HA2 GLY 4 1HA GLY 4 19.351 -2.412 12.596 16 HA3 GLY 4 2HA GLY 4 19.365 -3.986 11.814 17 H SER 5 H SER 5 18.027 -4.008 14.041 18 HA SER 5 HA SER 5 19.713 -5.539 15.851 19 HB2 SER 5 1HB SER 5 19.767 -3.205 16.718 20 HB3 SER 5 2HB SER 5 18.011 -3.250 16.866 21 HG SER 5 HG SER 5 19.898 -4.244 18.529 22 H SER 6 H SER 6 18.701 -7.359 16.352 23 HA SER 6 HA SER 6 17.072 -8.944 16.518 24 HB2 SER 6 1HB SER 6 16.600 -7.512 18.530 25 HB3 SER 6 2HB SER 6 15.378 -6.672 17.576 26 HG SER 6 HG SER 6 14.652 -8.497 18.928 27 H GLY 7 H GLY 7 17.265 -8.108 13.972 28 HA2 GLY 7 1HA GLY 7 15.304 -8.987 12.503 29 HA3 GLY 7 2HA GLY 7 14.542 -7.501 13.052 30 H GLU 8 H GLU 8 15.486 -8.527 10.358 31 HA GLU 8 HA GLU 8 17.290 -6.307 9.671 32 HB2 GLU 8 1HB GLU 8 17.800 -8.841 9.162 33 HB3 GLU 8 2HB GLU 8 16.729 -8.566 7.795 34 HG2 GLU 8 1HG GLU 8 19.073 -6.782 8.348 35 HG3 GLU 8 2HG GLU 8 19.231 -8.275 7.423 36 H ILE 9 H ILE 9 15.977 -4.620 9.217 37 HA ILE 9 HA ILE 9 13.532 -4.958 7.726 38 HB ILE 9 HB ILE 9 13.316 -2.523 7.888 39 HG12 ILE 9 1HG1 ILE 9 15.595 -2.132 9.677 40 HG13 ILE 9 2HG1 ILE 9 16.078 -2.533 8.033 41 HG21 ILE 9 1HG2 ILE 9 14.142 -3.095 10.635 42 HG22 ILE 9 2HG2 ILE 9 12.558 -2.666 9.991 43 HG23 ILE 9 3HG2 ILE 9 13.118 -4.336 9.914 44 HD11 ILE 9 1HD1 ILE 9 14.099 -0.630 7.708 45 HD12 ILE 9 2HD1 ILE 9 15.023 -0.070 9.101 46 HD13 ILE 9 3HD1 ILE 9 15.839 -0.382 7.570 47 H SER 10 H SER 10 13.179 -3.260 5.890 48 HA SER 10 HA SER 10 15.474 -2.765 4.219 49 HB2 SER 10 1HB SER 10 14.761 -5.216 3.845 50 HB3 SER 10 2HB SER 10 13.343 -4.541 3.042 51 HG SER 10 HG SER 10 14.537 -4.099 1.376 52 H GLY 11 H GLY 11 15.111 -1.158 2.745 53 HA2 GLY 11 1HA GLY 11 12.393 -0.007 2.768 54 HA3 GLY 11 2HA GLY 11 13.871 0.926 2.577 55 H PHE 12 H PHE 12 11.308 0.317 0.922 56 HA PHE 12 HA PHE 12 12.648 -0.461 -1.574 57 HB2 PHE 12 1HB PHE 12 9.784 -0.548 -0.669 58 HB3 PHE 12 2HB PHE 12 10.181 -0.578 -2.383 59 HD1 PHE 12 2HD PHE 12 10.587 -2.369 0.814 60 HD2 PHE 12 1HD PHE 12 11.008 -2.534 -3.418 61 HE1 PHE 12 2HE PHE 12 10.963 -4.796 0.949 62 HE2 PHE 12 1HE PHE 12 11.385 -4.962 -3.290 63 HZ PHE 12 HZ PHE 12 11.364 -6.096 -1.104 64 H GLY 13 H GLY 13 13.057 2.136 -0.494 65 HA2 GLY 13 1HA GLY 13 13.364 4.133 -1.742 66 HA3 GLY 13 2HA GLY 13 11.959 3.712 -2.710 67 H GLN 14 H GLN 14 11.124 5.821 -2.396 68 HA GLN 14 HA GLN 14 9.893 6.181 0.253 69 HB2 GLN 14 1HB GLN 14 10.127 8.654 -0.105 70 HB3 GLN 14 2HB GLN 14 11.645 7.803 0.151 71 HG2 GLN 14 1HG GLN 14 12.066 9.311 -1.584 72 HG3 GLN 14 2HG GLN 14 11.873 7.745 -2.370 73 HE21 GLN 14 1HE2 GLN 14 10.764 7.851 -4.172 74 HE22 GLN 14 2HE2 GLN 14 9.459 8.931 -4.512 75 H CYS 15 H CYS 15 8.931 5.027 -2.316 76 HA CYS 15 HA CYS 15 6.922 6.959 -3.171 77 HB2 CYS 15 1HB CYS 15 7.946 4.361 -4.226 78 HB3 CYS 15 2HB CYS 15 6.317 4.856 -4.668 79 HG CYS 15 HG CYS 15 7.363 7.431 -5.589 80 H LEU 16 H LEU 16 4.903 6.973 -2.434 81 HA LEU 16 HA LEU 16 3.924 4.591 -1.002 82 HB2 LEU 16 1HB LEU 16 2.972 7.366 -0.408 83 HB3 LEU 16 2HB LEU 16 2.873 5.921 0.597 84 HG LEU 16 HG LEU 16 5.406 7.447 -0.008 85 HD11 LEU 16 1HD1 LEU 16 5.049 7.729 2.628 86 HD12 LEU 16 2HD1 LEU 16 3.364 7.686 2.112 87 HD13 LEU 16 3HD1 LEU 16 4.459 8.896 1.444 88 HD21 LEU 16 1HD2 LEU 16 6.255 5.414 0.511 89 HD22 LEU 16 2HD2 LEU 16 4.803 4.902 1.371 90 HD23 LEU 16 3HD2 LEU 16 5.961 5.976 2.157 91 H VAL 17 H VAL 17 3.059 3.897 -3.065 92 HA VAL 17 HA VAL 17 0.850 5.478 -4.137 93 HB VAL 17 HB VAL 17 0.755 3.734 -5.905 94 HG11 VAL 17 1HG1 VAL 17 2.412 5.824 -5.724 95 HG12 VAL 17 2HG1 VAL 17 3.603 4.529 -5.860 96 HG13 VAL 17 3HG1 VAL 17 2.383 4.743 -7.116 97 HG21 VAL 17 1HG2 VAL 17 3.301 2.531 -5.492 98 HG22 VAL 17 2HG2 VAL 17 2.324 2.284 -4.045 99 HG23 VAL 17 3HG2 VAL 17 1.722 1.756 -5.616 100 H TRP 18 H TRP 18 -1.249 4.985 -3.878 101 HA TRP 18 HA TRP 18 -1.902 2.464 -2.498 102 HB2 TRP 18 1HB TRP 18 -3.233 5.158 -2.135 103 HB3 TRP 18 2HB TRP 18 -3.731 3.658 -1.357 104 HD1 TRP 18 HD TRP 18 -0.631 5.988 -1.458 105 HE1 TRP 18 1HE TRP 18 0.512 5.884 0.845 106 HE3 TRP 18 3HE TRP 18 -3.585 2.451 0.755 107 HZ2 TRP 18 2HZ TRP 18 0.203 4.487 3.278 108 HZ3 TRP 18 3HZ TRP 18 -3.094 1.786 3.072 109 HH2 TRP 18 HH TRP 18 -1.239 2.784 4.306 110 H VAL 19 H VAL 19 -4.097 1.667 -2.877 111 HA VAL 19 HA VAL 19 -5.363 2.644 -5.330 112 HB VAL 19 HB VAL 19 -5.651 0.223 -6.058 113 HG11 VAL 19 1HG1 VAL 19 -3.422 0.155 -7.139 114 HG12 VAL 19 2HG1 VAL 19 -4.210 1.728 -7.268 115 HG13 VAL 19 3HG1 VAL 19 -2.913 1.484 -6.098 116 HG21 VAL 19 1HG2 VAL 19 -3.874 -1.327 -5.298 117 HG22 VAL 19 2HG2 VAL 19 -3.405 -0.143 -4.078 118 HG23 VAL 19 3HG2 VAL 19 -5.003 -0.886 -4.017 119 H GLN 20 H GLN 20 -7.459 2.902 -4.976 120 HA GLN 20 HA GLN 20 -8.713 1.671 -2.674 121 HB2 GLN 20 1HB GLN 20 -9.021 4.103 -3.519 122 HB3 GLN 20 2HB GLN 20 -10.131 3.394 -4.684 123 HG2 GLN 20 1HG GLN 20 -11.188 2.304 -2.554 124 HG3 GLN 20 2HG GLN 20 -10.380 3.636 -1.729 125 HE21 GLN 20 1HE2 GLN 20 -12.268 4.651 -1.142 126 HE22 GLN 20 2HE2 GLN 20 -13.303 5.438 -2.280 127 H CYS 21 H CYS 21 -10.055 -0.023 -2.693 128 HA CYS 21 HA CYS 21 -10.232 -1.793 -4.800 129 HB2 CYS 21 1HB CYS 21 -10.828 -2.173 -2.347 130 HB3 CYS 21 2HB CYS 21 -12.406 -1.494 -2.731 131 H SER 22 H SER 22 -12.047 -2.429 -6.134 132 HA SER 22 HA SER 22 -13.314 -0.129 -7.340 133 HB2 SER 22 1HB SER 22 -12.583 -1.609 -8.977 134 HB3 SER 22 2HB SER 22 -13.056 -3.031 -8.048 135 HG SER 22 HG SER 22 -14.619 -2.903 -9.526 136 H PHE 23 H PHE 23 -14.195 -2.763 -5.251 137 HA PHE 23 HA PHE 23 -17.020 -2.527 -5.622 138 HB2 PHE 23 1HB PHE 23 -15.411 -3.827 -3.415 139 HB3 PHE 23 2HB PHE 23 -17.156 -3.973 -3.601 140 HD1 PHE 23 2HD PHE 23 -17.869 -4.726 -6.078 141 HD2 PHE 23 1HD PHE 23 -14.139 -5.555 -4.203 142 HE1 PHE 23 2HE PHE 23 -17.549 -6.652 -7.574 143 HE2 PHE 23 1HE PHE 23 -13.813 -7.483 -5.696 144 HZ PHE 23 HZ PHE 23 -15.519 -8.034 -7.384 145 HA PRO 24 HA PRO 24 -17.846 0.945 -3.048 146 HB2 PRO 24 1HB PRO 24 -20.431 0.410 -2.412 147 HB3 PRO 24 2HB PRO 24 -19.931 0.974 -4.011 148 HG2 PRO 24 1HG PRO 24 -20.541 -1.808 -3.088 149 HG3 PRO 24 2HG PRO 24 -21.010 -1.002 -4.596 150 HD2 PRO 24 1HD PRO 24 -18.942 -2.744 -4.459 151 HD3 PRO 24 2HD PRO 24 -18.957 -1.366 -5.577 152 H ASN 25 H ASN 25 -19.132 -2.140 -1.791 153 HA ASN 25 HA ASN 25 -19.293 -1.411 0.889 154 HB2 ASN 25 1HB ASN 25 -19.556 -3.699 1.375 155 HB3 ASN 25 2HB ASN 25 -20.159 -3.535 -0.271 156 HD21 ASN 25 1HD2 ASN 25 -19.005 -4.419 -1.966 157 HD22 ASN 25 2HD2 ASN 25 -17.723 -5.552 -1.723 158 H CYS 26 H CYS 26 -16.543 -2.187 -1.051 159 HA CYS 26 HA CYS 26 -14.805 -2.654 1.225 160 HB2 CYS 26 1HB CYS 26 -14.679 -3.075 -1.646 161 HB3 CYS 26 2HB CYS 26 -13.209 -2.318 -1.039 162 H GLY 27 H GLY 27 -14.293 -0.515 -1.570 163 HA2 GLY 27 1HA GLY 27 -13.364 1.583 -1.697 164 HA3 GLY 27 2HA GLY 27 -14.384 1.941 -0.311 165 H LYS 28 H LYS 28 -11.886 -0.481 -0.141 166 HA LYS 28 HA LYS 28 -10.507 1.143 1.859 167 HB2 LYS 28 1HB LYS 28 -10.186 -1.773 1.125 168 HB3 LYS 28 2HB LYS 28 -9.340 -0.959 2.435 169 HG2 LYS 28 1HG LYS 28 -11.510 -0.496 3.509 170 HG3 LYS 28 2HG LYS 28 -12.312 -1.400 2.222 171 HD2 LYS 28 1HD LYS 28 -11.089 -3.410 2.852 172 HD3 LYS 28 2HD LYS 28 -10.231 -2.512 4.106 173 HE2 LYS 28 1HE LYS 28 -12.111 -3.854 4.988 174 HE3 LYS 28 2HE LYS 28 -12.288 -2.128 5.302 175 HZ1 LYS 28 1HZ LYS 28 -14.268 -3.529 4.377 176 HZ2 LYS 28 2HZ LYS 28 -13.517 -3.251 2.887 177 HZ3 LYS 28 3HZ LYS 28 -14.014 -1.945 3.841 178 H TRP 29 H TRP 29 -8.329 1.650 1.757 179 HA TRP 29 HA TRP 29 -7.200 1.620 -0.938 180 HB2 TRP 29 1HB TRP 29 -6.520 3.184 1.552 181 HB3 TRP 29 2HB TRP 29 -5.521 3.222 0.102 182 HD1 TRP 29 HD TRP 29 -8.825 4.493 1.497 183 HE1 TRP 29 1HE TRP 29 -9.799 6.240 -0.123 184 HE3 TRP 29 3HE TRP 29 -5.583 3.875 -2.408 185 HZ2 TRP 29 2HZ TRP 29 -9.264 7.226 -2.714 186 HZ3 TRP 29 3HZ TRP 29 -5.884 5.259 -4.420 187 HH2 TRP 29 HH TRP 29 -7.687 6.898 -4.568 188 H ARG 30 H ARG 30 -6.191 -0.279 -1.302 189 HA ARG 30 HA ARG 30 -4.656 -1.606 0.741 190 HB2 ARG 30 1HB ARG 30 -4.857 -2.208 -2.216 191 HB3 ARG 30 2HB ARG 30 -4.182 -3.269 -0.987 192 HG2 ARG 30 1HG ARG 30 -7.029 -2.323 -0.896 193 HG3 ARG 30 2HG ARG 30 -6.536 -3.770 -1.777 194 HD2 ARG 30 1HD ARG 30 -6.980 -4.777 0.195 195 HD3 ARG 30 2HD ARG 30 -5.345 -4.244 0.583 196 HE ARG 30 HE ARG 30 -6.837 -2.152 1.373 197 HH11 ARG 30 1HH1 ARG 30 -7.087 -5.572 1.971 198 HH12 ARG 30 2HH1 ARG 30 -7.812 -5.379 3.532 199 HH21 ARG 30 1HH2 ARG 30 -7.792 -1.884 3.427 200 HH22 ARG 30 2HH2 ARG 30 -8.214 -3.280 4.359 201 H ARG 31 H ARG 31 -2.514 -1.527 1.074 202 HA ARG 31 HA ARG 31 -0.977 0.483 -0.285 203 HB2 ARG 31 1HB ARG 31 -0.717 0.098 2.125 204 HB3 ARG 31 2HB ARG 31 -0.150 -1.536 1.808 205 HG2 ARG 31 1HG ARG 31 1.819 -0.404 2.151 206 HG3 ARG 31 2HG ARG 31 1.674 -0.348 0.393 207 HD2 ARG 31 1HD ARG 31 0.943 1.895 0.427 208 HD3 ARG 31 2HD ARG 31 0.644 1.850 2.164 209 HE ARG 31 HE ARG 31 3.110 2.441 0.873 210 HH11 ARG 31 1HH1 ARG 31 1.736 0.952 3.705 211 HH12 ARG 31 2HH1 ARG 31 3.133 1.233 4.690 212 HH21 ARG 31 1HH2 ARG 31 4.955 2.816 2.160 213 HH22 ARG 31 2HH2 ARG 31 4.963 2.294 3.811 214 H LEU 32 H LEU 32 0.595 0.231 -1.785 215 HA LEU 32 HA LEU 32 1.070 -2.506 -2.763 216 HB2 LEU 32 1HB LEU 32 0.897 0.128 -4.184 217 HB3 LEU 32 2HB LEU 32 1.722 -1.249 -4.911 218 HG LEU 32 HG LEU 32 -1.126 -1.463 -3.992 219 HD11 LEU 32 1HD1 LEU 32 -1.465 0.283 -5.430 220 HD12 LEU 32 2HD1 LEU 32 -1.527 -1.072 -6.557 221 HD13 LEU 32 3HD1 LEU 32 -0.056 -0.109 -6.417 222 HD21 LEU 32 1HD2 LEU 32 -0.241 -3.564 -4.490 223 HD22 LEU 32 2HD2 LEU 32 0.680 -2.955 -5.866 224 HD23 LEU 32 3HD2 LEU 32 -1.075 -3.094 -5.972 225 H CYS 33 H CYS 33 3.213 -2.593 -4.076 226 HA CYS 33 HA CYS 33 5.335 -2.244 -2.291 227 HB2 CYS 33 1HB CYS 33 5.290 -2.711 -5.272 228 HB3 CYS 33 2HB CYS 33 6.779 -2.677 -4.336 229 HG CYS 33 HG CYS 33 5.292 -5.284 -5.039 230 H GLY 34 H GLY 34 5.056 -0.608 -5.451 231 HA2 GLY 34 1HA GLY 34 5.171 2.011 -4.689 232 HA3 GLY 34 2HA GLY 34 6.844 1.479 -4.610 233 H ASN 35 H ASN 35 6.312 -0.436 -6.868 234 HA ASN 35 HA ASN 35 6.750 1.510 -9.000 235 HB2 ASN 35 1HB ASN 35 7.403 -0.572 -10.311 236 HB3 ASN 35 2HB ASN 35 8.430 -0.166 -8.939 237 HD21 ASN 35 1HD2 ASN 35 5.659 -2.155 -9.862 238 HD22 ASN 35 2HD2 ASN 35 6.023 -3.467 -8.797 239 H ILE 36 H ILE 36 4.121 1.399 -8.119 240 HA ILE 36 HA ILE 36 2.793 0.230 -10.471 241 HB ILE 36 HB ILE 36 1.702 0.242 -7.654 242 HG12 ILE 36 1HG1 ILE 36 1.645 -2.331 -8.362 243 HG13 ILE 36 2HG1 ILE 36 2.992 -1.821 -9.373 244 HG21 ILE 36 1HG2 ILE 36 0.448 -0.125 -10.292 245 HG22 ILE 36 2HG2 ILE 36 0.014 -1.317 -9.068 246 HG23 ILE 36 3HG2 ILE 36 -0.255 0.399 -8.761 247 HD11 ILE 36 1HD1 ILE 36 3.181 -0.888 -6.619 248 HD12 ILE 36 2HD1 ILE 36 3.176 -2.644 -6.784 249 HD13 ILE 36 3HD1 ILE 36 4.381 -1.682 -7.639 250 H ASP 37 H ASP 37 1.131 1.419 -11.366 251 HA ASP 37 HA ASP 37 0.511 4.011 -10.132 252 HB2 ASP 37 1HB ASP 37 2.085 3.639 -12.466 253 HB3 ASP 37 2HB ASP 37 0.539 4.311 -12.977 254 HA PRO 38 HA PRO 38 -3.671 3.047 -11.062 255 HB2 PRO 38 1HB PRO 38 -4.707 5.542 -11.330 256 HB3 PRO 38 2HB PRO 38 -4.238 4.859 -9.768 257 HG2 PRO 38 1HG PRO 38 -2.738 6.755 -11.533 258 HG3 PRO 38 2HG PRO 38 -2.941 6.789 -9.772 259 HD2 PRO 38 1HD PRO 38 -0.693 5.862 -10.961 260 HD3 PRO 38 2HD PRO 38 -1.300 5.209 -9.426 261 H SER 39 H SER 39 -1.862 5.118 -13.230 262 HA SER 39 HA SER 39 -3.758 5.253 -15.320 263 HB2 SER 39 1HB SER 39 -2.181 6.473 -16.401 264 HB3 SER 39 2HB SER 39 -1.343 6.430 -14.850 265 HG SER 39 HG SER 39 -0.558 5.415 -17.180 266 H VAL 40 H VAL 40 -1.088 3.025 -14.653 267 HA VAL 40 HA VAL 40 -1.642 1.459 -17.024 268 HB VAL 40 HB VAL 40 0.138 -0.053 -16.140 269 HG11 VAL 40 1HG1 VAL 40 1.426 2.584 -16.011 270 HG12 VAL 40 2HG1 VAL 40 1.719 1.227 -17.101 271 HG13 VAL 40 3HG1 VAL 40 0.379 2.333 -17.407 272 HG21 VAL 40 1HG2 VAL 40 0.830 1.998 -14.097 273 HG22 VAL 40 2HG2 VAL 40 -0.416 0.811 -13.713 274 HG23 VAL 40 3HG2 VAL 40 1.209 0.276 -14.142 275 H LEU 41 H LEU 41 -2.588 1.498 -13.719 276 HA LEU 41 HA LEU 41 -3.232 -1.250 -13.422 277 HB2 LEU 41 1HB LEU 41 -3.947 1.263 -11.979 278 HB3 LEU 41 2HB LEU 41 -4.826 -0.222 -11.620 279 HG LEU 41 HG LEU 41 -1.831 -0.110 -11.468 280 HD11 LEU 41 1HD1 LEU 41 -3.828 1.014 -9.587 281 HD12 LEU 41 2HD1 LEU 41 -2.175 1.524 -9.927 282 HD13 LEU 41 3HD1 LEU 41 -2.470 0.117 -8.905 283 HD21 LEU 41 1HD2 LEU 41 -3.819 -1.788 -9.952 284 HD22 LEU 41 2HD2 LEU 41 -2.072 -2.010 -10.061 285 HD23 LEU 41 3HD2 LEU 41 -3.087 -2.286 -11.477 286 HA PRO 42 HA PRO 42 -7.033 -1.631 -15.585 287 HB2 PRO 42 1HB PRO 42 -8.354 -3.411 -14.018 288 HB3 PRO 42 2HB PRO 42 -6.983 -3.862 -15.038 289 HG2 PRO 42 1HG PRO 42 -7.048 -3.278 -12.103 290 HG3 PRO 42 2HG PRO 42 -6.198 -4.572 -12.968 291 HD2 PRO 42 1HD PRO 42 -4.952 -2.321 -12.123 292 HD3 PRO 42 2HD PRO 42 -4.466 -3.186 -13.595 293 H ASP 43 H ASP 43 -9.227 -1.037 -15.572 294 HA ASP 43 HA ASP 43 -9.900 1.052 -13.759 295 HB2 ASP 43 1HB ASP 43 -11.669 -0.353 -15.772 296 HB3 ASP 43 2HB ASP 43 -11.992 1.200 -15.007 297 H ASN 44 H ASN 44 -10.496 -2.349 -13.851 298 HA ASN 44 HA ASN 44 -12.409 -2.091 -11.626 299 HB2 ASN 44 1HB ASN 44 -13.317 -3.248 -13.600 300 HB3 ASN 44 2HB ASN 44 -12.004 -4.418 -13.519 301 HD21 ASN 44 1HD2 ASN 44 -12.429 -6.236 -12.509 302 HD22 ASN 44 2HD2 ASN 44 -13.667 -6.480 -11.329 303 H TRP 45 H TRP 45 -10.107 -1.700 -10.606 304 HA TRP 45 HA TRP 45 -8.722 -4.175 -9.978 305 HB2 TRP 45 1HB TRP 45 -7.480 -2.051 -10.407 306 HB3 TRP 45 2HB TRP 45 -8.193 -1.382 -8.941 307 HD1 TRP 45 HD TRP 45 -5.380 -3.575 -10.142 308 HE1 TRP 45 1HE TRP 45 -3.959 -4.330 -8.134 309 HE3 TRP 45 3HE TRP 45 -8.441 -2.021 -6.353 310 HZ2 TRP 45 2HZ TRP 45 -4.115 -4.275 -5.316 311 HZ3 TRP 45 3HZ TRP 45 -7.731 -2.411 -4.030 312 HH2 TRP 45 HH TRP 45 -5.613 -3.515 -3.524 313 H SER 46 H SER 46 -8.593 -5.113 -7.951 314 HA SER 46 HA SER 46 -10.280 -4.005 -5.826 315 HB2 SER 46 1HB SER 46 -11.050 -6.444 -5.416 316 HB3 SER 46 2HB SER 46 -11.810 -5.541 -6.726 317 HG SER 46 HG SER 46 -11.252 -7.339 -7.743 318 H CYS 47 H CYS 47 -10.022 -5.536 -3.802 319 HA CYS 47 HA CYS 47 -7.366 -5.330 -2.953 320 HB2 CYS 47 1HB CYS 47 -9.488 -7.147 -1.795 321 HB3 CYS 47 2HB CYS 47 -8.065 -6.525 -0.965 322 H ASP 48 H ASP 48 -9.080 -7.923 -4.528 323 HA ASP 48 HA ASP 48 -7.289 -10.023 -3.934 324 HB2 ASP 48 1HB ASP 48 -9.494 -10.530 -4.768 325 HB3 ASP 48 2HB ASP 48 -9.191 -9.627 -6.249 326 H GLN 49 H GLN 49 -7.013 -7.309 -5.973 327 HA GLN 49 HA GLN 49 -4.904 -8.553 -7.582 328 HB2 GLN 49 1HB GLN 49 -6.409 -5.954 -7.845 329 HB3 GLN 49 2HB GLN 49 -4.992 -6.328 -8.818 330 HG2 GLN 49 1HG GLN 49 -6.094 -8.205 -9.814 331 HG3 GLN 49 2HG GLN 49 -7.473 -8.026 -8.729 332 HE21 GLN 49 1HE2 GLN 49 -9.162 -7.251 -9.749 333 HE22 GLN 49 2HE2 GLN 49 -9.149 -6.037 -10.978 334 H ASN 50 H ASN 50 -4.635 -7.843 -4.716 335 HA ASN 50 HA ASN 50 -2.736 -5.632 -4.765 336 HB2 ASN 50 1HB ASN 50 -4.542 -6.183 -2.918 337 HB3 ASN 50 2HB ASN 50 -3.278 -7.247 -2.308 338 HD21 ASN 50 1HD2 ASN 50 -2.512 -6.249 -0.575 339 HD22 ASN 50 2HD2 ASN 50 -1.937 -4.621 -0.527 340 H THR 51 H THR 51 -0.604 -5.869 -3.806 341 HA THR 51 HA THR 51 0.605 -8.416 -4.573 342 HB THR 51 HB THR 51 2.730 -7.278 -4.547 343 HG1 THR 51 1HG THR 51 1.278 -5.366 -3.113 344 HG21 THR 51 1HG2 THR 51 0.531 -5.688 -5.861 345 HG22 THR 51 2HG2 THR 51 1.538 -6.944 -6.582 346 HG23 THR 51 3HG2 THR 51 2.245 -5.389 -6.146 347 H ASP 52 H ASP 52 -0.194 -6.568 -1.781 348 HA ASP 52 HA ASP 52 1.630 -8.048 -0.058 349 HB2 ASP 52 1HB ASP 52 1.081 -5.551 0.191 350 HB3 ASP 52 2HB ASP 52 -0.463 -6.082 0.853 351 H VAL 53 H VAL 53 1.033 -10.052 0.450 352 HA VAL 53 HA VAL 53 -1.524 -11.128 0.306 353 HB VAL 53 HB VAL 53 -0.699 -12.991 1.640 354 HG11 VAL 53 1HG1 VAL 53 0.157 -13.516 -0.358 355 HG12 VAL 53 2HG1 VAL 53 0.745 -11.875 -0.635 356 HG13 VAL 53 3HG1 VAL 53 1.705 -13.008 0.316 357 HG21 VAL 53 1HG2 VAL 53 0.522 -12.238 3.413 358 HG22 VAL 53 2HG2 VAL 53 1.842 -12.675 2.328 359 HG23 VAL 53 3HG2 VAL 53 1.336 -10.991 2.467 360 H GLN 54 H GLN 54 -0.057 -9.215 2.789 361 HA GLN 54 HA GLN 54 -1.728 -9.961 4.946 362 HB2 GLN 54 1HB GLN 54 -0.400 -7.281 4.539 363 HB3 GLN 54 2HB GLN 54 -0.895 -8.003 6.064 364 HG2 GLN 54 1HG GLN 54 0.768 -9.906 5.271 365 HG3 GLN 54 2HG GLN 54 1.473 -8.562 4.375 366 HE21 GLN 54 1HE2 GLN 54 1.134 -10.078 7.401 367 HE22 GLN 54 2HE2 GLN 54 2.040 -8.942 8.337 368 H TYR 55 H TYR 55 -2.220 -7.973 2.184 369 HA TYR 55 HA TYR 55 -4.934 -7.402 3.084 370 HB2 TYR 55 1HB TYR 55 -3.069 -5.248 2.066 371 HB3 TYR 55 2HB TYR 55 -4.781 -5.039 2.418 372 HD1 TYR 55 1HD TYR 55 -1.467 -5.656 3.918 373 HD2 TYR 55 2HD TYR 55 -5.552 -4.724 4.654 374 HE1 TYR 55 1HE TYR 55 -0.911 -5.090 6.246 375 HE2 TYR 55 2HE TYR 55 -5.008 -4.154 6.984 376 HH TYR 55 HH TYR 55 -3.393 -4.407 8.612 377 H ASN 56 H ASN 56 -4.476 -9.302 1.314 378 HA ASN 56 HA ASN 56 -4.919 -8.088 -1.332 379 HB2 ASN 56 1HB ASN 56 -3.931 -9.940 -2.342 380 HB3 ASN 56 2HB ASN 56 -2.959 -9.745 -0.887 381 HD21 ASN 56 1HD2 ASN 56 -3.417 -11.127 0.919 382 HD22 ASN 56 2HD2 ASN 56 -4.085 -12.698 0.651 383 H ARG 57 H ARG 57 -6.863 -8.625 0.903 384 HA ARG 57 HA ARG 57 -8.788 -10.159 -0.707 385 HB2 ARG 57 1HB ARG 57 -8.493 -10.334 2.298 386 HB3 ARG 57 2HB ARG 57 -9.703 -11.164 1.328 387 HG2 ARG 57 1HG ARG 57 -7.056 -11.738 0.355 388 HG3 ARG 57 2HG ARG 57 -7.192 -12.108 2.076 389 HD2 ARG 57 1HD ARG 57 -9.258 -13.399 1.569 390 HD3 ARG 57 2HD ARG 57 -8.958 -13.123 -0.146 391 HE ARG 57 HE ARG 57 -6.742 -14.323 1.234 392 HH11 ARG 57 1HH1 ARG 57 -9.743 -14.920 -0.427 393 HH12 ARG 57 2HH1 ARG 57 -9.330 -16.545 -0.862 394 HH21 ARG 57 1HH2 ARG 57 -6.187 -16.461 0.667 395 HH22 ARG 57 2HH2 ARG 57 -7.307 -17.421 -0.239 396 H CYS 58 H CYS 58 -11.015 -9.608 -0.342 397 HA CYS 58 HA CYS 58 -11.354 -6.786 0.181 398 HB2 CYS 58 1HB CYS 58 -13.151 -8.962 -0.860 399 HB3 CYS 58 2HB CYS 58 -13.796 -7.385 -0.421 400 H ASP 59 H ASP 59 -11.183 -9.358 2.154 401 HA ASP 59 HA ASP 59 -13.342 -8.485 3.940 402 HB2 ASP 59 1HB ASP 59 -12.823 -10.981 3.230 403 HB3 ASP 59 2HB ASP 59 -11.642 -10.869 4.532 404 H ILE 60 H ILE 60 -9.919 -8.489 3.554 405 HA ILE 60 HA ILE 60 -9.187 -8.154 6.276 406 HB ILE 60 HB ILE 60 -7.712 -7.312 3.778 407 HG12 ILE 60 1HG1 ILE 60 -7.097 -9.707 5.486 408 HG13 ILE 60 2HG1 ILE 60 -8.313 -9.802 4.216 409 HG21 ILE 60 1HG2 ILE 60 -5.722 -7.257 5.195 410 HG22 ILE 60 2HG2 ILE 60 -6.933 -6.099 5.744 411 HG23 ILE 60 3HG2 ILE 60 -6.715 -7.621 6.607 412 HD11 ILE 60 1HD1 ILE 60 -6.352 -8.772 2.774 413 HD12 ILE 60 2HD1 ILE 60 -5.372 -9.552 4.016 414 HD13 ILE 60 3HD1 ILE 60 -6.501 -10.507 3.056 415 HA PRO 61 HA PRO 61 -10.508 -3.971 6.865 416 HB2 PRO 61 1HB PRO 61 -9.176 -3.517 9.187 417 HB3 PRO 61 2HB PRO 61 -10.642 -4.501 9.097 418 HG2 PRO 61 1HG PRO 61 -7.779 -5.372 9.197 419 HG3 PRO 61 2HG PRO 61 -9.182 -6.036 10.055 420 HD2 PRO 61 1HD PRO 61 -8.157 -7.187 7.829 421 HD3 PRO 61 2HD PRO 61 -9.886 -7.248 8.225 422 H GLU 62 H GLU 62 -9.569 -1.813 7.131 423 HA GLU 62 HA GLU 62 -7.208 -1.512 5.524 424 HB2 GLU 62 1HB GLU 62 -9.000 0.481 6.914 425 HB3 GLU 62 2HB GLU 62 -7.605 0.947 5.950 426 HG2 GLU 62 1HG GLU 62 -8.573 0.061 3.970 427 HG3 GLU 62 2HG GLU 62 -9.876 -0.704 4.879 428 H GLU 63 H GLU 63 -5.598 0.277 6.310 429 HA GLU 63 HA GLU 63 -4.167 -0.813 8.487 430 HB2 GLU 63 1HB GLU 63 -3.861 1.514 6.675 431 HB3 GLU 63 2HB GLU 63 -3.005 1.598 8.208 432 HG2 GLU 63 1HG GLU 63 -1.905 -0.526 7.711 433 HG3 GLU 63 2HG GLU 63 -2.757 -0.602 6.170 434 H THR 64 H THR 64 -3.848 -0.088 10.570 435 HA THR 64 HA THR 64 -6.045 1.210 11.815 436 HB THR 64 HB THR 64 -4.266 1.274 13.791 437 HG1 THR 64 1HG THR 64 -2.421 0.578 12.946 438 HG21 THR 64 1HG2 THR 64 -5.206 -0.682 14.555 439 HG22 THR 64 2HG2 THR 64 -5.126 -1.464 12.976 440 HG23 THR 64 3HG2 THR 64 -6.358 -0.244 13.296 441 H TRP 65 H TRP 65 -5.980 3.163 13.084 442 HA TRP 65 HA TRP 65 -4.149 5.171 11.945 443 HB2 TRP 65 1HB TRP 65 -5.971 6.812 12.657 444 HB3 TRP 65 2HB TRP 65 -6.346 5.757 11.297 445 HD1 TRP 65 HD TRP 65 -8.103 3.741 11.767 446 HE1 TRP 65 1HE TRP 65 -9.985 3.528 13.510 447 HE3 TRP 65 3HE TRP 65 -6.632 7.416 15.003 448 HZ2 TRP 65 2HZ TRP 65 -10.745 4.755 15.936 449 HZ3 TRP 65 3HZ TRP 65 -7.992 7.833 17.010 450 HH2 TRP 65 HH TRP 65 -10.006 6.530 17.465 451 H THR 66 H THR 66 -3.673 3.433 14.275 452 HA THR 66 HA THR 66 -3.718 5.351 16.489 453 HB THR 66 HB THR 66 -4.537 3.084 16.975 454 HG1 THR 66 1HG THR 66 -2.040 3.583 18.259 455 HG21 THR 66 1HG2 THR 66 -3.482 1.222 16.331 456 HG22 THR 66 2HG2 THR 66 -1.951 1.771 17.012 457 HG23 THR 66 3HG2 THR 66 -2.416 2.257 15.382 458 H GLY 67 H GLY 67 -1.965 5.972 14.403 459 HA2 GLY 67 1HA GLY 67 0.289 6.853 15.398 460 HA3 GLY 67 2HA GLY 67 0.686 5.142 15.343 461 H LEU 68 H LEU 68 2.390 5.538 13.887 462 HA LEU 68 HA LEU 68 1.628 5.405 11.143 463 HB2 LEU 68 1HB LEU 68 2.461 7.413 10.311 464 HB3 LEU 68 2HB LEU 68 1.536 7.884 11.735 465 HG LEU 68 HG LEU 68 4.537 7.585 11.684 466 HD11 LEU 68 1HD1 LEU 68 2.832 9.716 10.728 467 HD12 LEU 68 2HD1 LEU 68 4.577 9.515 10.582 468 HD13 LEU 68 3HD1 LEU 68 3.894 10.259 12.028 469 HD21 LEU 68 1HD2 LEU 68 4.325 8.956 13.777 470 HD22 LEU 68 2HD2 LEU 68 3.709 7.307 13.894 471 HD23 LEU 68 3HD2 LEU 68 2.588 8.656 13.713 472 H GLU 69 H GLU 69 3.384 4.870 9.755 473 HA GLU 69 HA GLU 69 5.614 3.669 11.199 474 HB2 GLU 69 1HB GLU 69 4.438 3.322 8.467 475 HB3 GLU 69 2HB GLU 69 6.090 2.802 8.771 476 HG2 GLU 69 1HG GLU 69 5.085 1.523 10.768 477 HG3 GLU 69 2HG GLU 69 3.545 1.765 9.944 Start of MODEL 6 1 H1 GLY 1 H GLY 1 23.632 11.097 -13.144 2 HA2 GLY 1 1HA GLY 1 21.555 9.004 -13.006 3 HA3 GLY 1 2HA GLY 1 22.993 8.795 -13.994 4 H SER 2 H SER 2 21.759 8.996 -10.722 5 HA SER 2 HA SER 2 24.207 8.661 -9.366 6 HB2 SER 2 1HB SER 2 21.626 7.578 -8.280 7 HB3 SER 2 2HB SER 2 22.938 8.390 -7.427 8 HG SER 2 HG SER 2 20.734 9.445 -8.595 9 H SER 3 H SER 3 25.368 6.897 -8.809 10 HA SER 3 HA SER 3 24.336 4.234 -8.949 11 HB2 SER 3 1HB SER 3 24.631 4.168 -11.238 12 HB3 SER 3 2HB SER 3 25.967 5.320 -11.206 13 HG SER 3 HG SER 3 26.070 2.627 -10.308 14 H GLY 4 H GLY 4 25.556 2.841 -7.764 15 HA2 GLY 4 1HA GLY 4 28.343 3.231 -7.269 16 HA3 GLY 4 2HA GLY 4 27.368 3.750 -5.902 17 H SER 5 H SER 5 26.193 2.215 -4.716 18 HA SER 5 HA SER 5 27.096 -0.555 -5.149 19 HB2 SER 5 1HB SER 5 26.375 -0.691 -2.613 20 HB3 SER 5 2HB SER 5 27.947 -0.031 -3.063 21 HG SER 5 HG SER 5 25.799 1.201 -1.906 22 H SER 6 H SER 6 25.550 -1.699 -6.110 23 HA SER 6 HA SER 6 22.767 -1.315 -5.220 24 HB2 SER 6 1HB SER 6 23.868 -2.136 -7.911 25 HB3 SER 6 2HB SER 6 22.169 -2.320 -7.476 26 HG SER 6 HG SER 6 22.782 -0.317 -8.594 27 H GLY 7 H GLY 7 21.487 -3.129 -4.826 28 HA2 GLY 7 1HA GLY 7 21.480 -5.666 -5.200 29 HA3 GLY 7 2HA GLY 7 23.031 -5.599 -4.377 30 H GLU 8 H GLU 8 23.078 -4.937 -2.151 31 HA GLU 8 HA GLU 8 20.890 -6.018 -0.664 32 HB2 GLU 8 1HB GLU 8 23.493 -4.716 0.092 33 HB3 GLU 8 2HB GLU 8 22.291 -5.119 1.310 34 HG2 GLU 8 1HG GLU 8 22.609 -7.363 1.090 35 HG3 GLU 8 2HG GLU 8 23.102 -7.241 -0.598 36 H ILE 9 H ILE 9 19.217 -4.559 -1.444 37 HA ILE 9 HA ILE 9 19.277 -1.781 -0.808 38 HB ILE 9 HB ILE 9 16.891 -1.783 -1.382 39 HG12 ILE 9 1HG1 ILE 9 16.190 -4.171 -2.373 40 HG13 ILE 9 2HG1 ILE 9 17.273 -4.719 -1.098 41 HG21 ILE 9 1HG2 ILE 9 17.145 -2.246 -3.680 42 HG22 ILE 9 2HG2 ILE 9 18.746 -1.782 -3.107 43 HG23 ILE 9 3HG2 ILE 9 18.364 -3.482 -3.375 44 HD11 ILE 9 1HD1 ILE 9 15.222 -2.710 -0.379 45 HD12 ILE 9 2HD1 ILE 9 14.686 -4.359 -0.701 46 HD13 ILE 9 3HD1 ILE 9 15.880 -4.050 0.559 47 H SER 10 H SER 10 17.852 -0.693 0.694 48 HA SER 10 HA SER 10 16.941 -2.310 2.960 49 HB2 SER 10 1HB SER 10 18.014 -0.832 4.576 50 HB3 SER 10 2HB SER 10 19.229 -1.515 3.496 51 HG SER 10 HG SER 10 19.476 0.757 3.827 52 H GLY 11 H GLY 11 15.687 -0.893 4.551 53 HA2 GLY 11 1HA GLY 11 14.324 1.045 4.910 54 HA3 GLY 11 2HA GLY 11 14.318 1.317 3.174 55 H PHE 12 H PHE 12 11.947 1.557 3.878 56 HA PHE 12 HA PHE 12 10.591 -1.031 4.045 57 HB2 PHE 12 1HB PHE 12 9.622 1.804 4.422 58 HB3 PHE 12 2HB PHE 12 8.541 0.414 4.402 59 HD1 PHE 12 1HD PHE 12 11.523 1.783 6.143 60 HD2 PHE 12 2HD PHE 12 8.123 -0.768 6.352 61 HE1 PHE 12 1HE PHE 12 11.937 1.435 8.543 62 HE2 PHE 12 2HE PHE 12 8.530 -1.119 8.753 63 HZ PHE 12 HZ PHE 12 10.438 -0.017 9.852 64 H GLY 13 H GLY 13 10.916 1.789 1.967 65 HA2 GLY 13 1HA GLY 13 10.287 0.343 -0.376 66 HA3 GLY 13 2HA GLY 13 8.873 1.252 0.138 67 H GLN 14 H GLN 14 9.425 2.109 -2.134 68 HA GLN 14 HA GLN 14 11.408 4.269 -1.961 69 HB2 GLN 14 1HB GLN 14 10.226 2.730 -4.238 70 HB3 GLN 14 2HB GLN 14 10.840 4.353 -4.526 71 HG2 GLN 14 1HG GLN 14 12.659 3.042 -5.031 72 HG3 GLN 14 2HG GLN 14 12.978 3.492 -3.357 73 HE21 GLN 14 1HE2 GLN 14 14.004 1.821 -2.498 74 HE22 GLN 14 2HE2 GLN 14 13.474 0.177 -2.553 75 H CYS 15 H CYS 15 8.314 3.841 -3.681 76 HA CYS 15 HA CYS 15 7.603 6.581 -2.872 77 HB2 CYS 15 1HB CYS 15 6.268 6.745 -4.865 78 HB3 CYS 15 2HB CYS 15 7.860 6.156 -5.326 79 HG CYS 15 HG CYS 15 5.480 3.830 -4.742 80 H LEU 16 H LEU 16 5.317 7.009 -2.479 81 HA LEU 16 HA LEU 16 4.056 4.737 -1.119 82 HB2 LEU 16 1HB LEU 16 3.789 7.713 -0.821 83 HB3 LEU 16 2HB LEU 16 2.627 6.597 -0.107 84 HG LEU 16 HG LEU 16 5.572 6.749 0.534 85 HD11 LEU 16 1HD1 LEU 16 3.339 7.294 2.441 86 HD12 LEU 16 2HD1 LEU 16 3.900 8.560 1.349 87 HD13 LEU 16 3HD1 LEU 16 5.020 7.827 2.497 88 HD21 LEU 16 1HD2 LEU 16 4.140 5.269 2.452 89 HD22 LEU 16 2HD2 LEU 16 5.379 4.691 1.338 90 HD23 LEU 16 3HD2 LEU 16 3.679 4.633 0.873 91 H VAL 17 H VAL 17 2.814 3.686 -2.571 92 HA VAL 17 HA VAL 17 0.867 5.285 -4.104 93 HB VAL 17 HB VAL 17 0.739 3.275 -5.627 94 HG11 VAL 17 1HG1 VAL 17 3.243 4.916 -5.373 95 HG12 VAL 17 2HG1 VAL 17 2.978 3.807 -6.721 96 HG13 VAL 17 3HG1 VAL 17 1.874 5.157 -6.458 97 HG21 VAL 17 1HG2 VAL 17 3.410 2.358 -4.961 98 HG22 VAL 17 2HG2 VAL 17 2.262 2.075 -3.652 99 HG23 VAL 17 3HG2 VAL 17 1.940 1.430 -5.262 100 H TRP 18 H TRP 18 -1.244 4.913 -3.795 101 HA TRP 18 HA TRP 18 -2.026 2.509 -2.285 102 HB2 TRP 18 1HB TRP 18 -3.085 5.320 -1.917 103 HB3 TRP 18 2HB TRP 18 -3.749 3.885 -1.140 104 HD1 TRP 18 HD TRP 18 -0.556 6.048 -1.146 105 HE1 TRP 18 1HE TRP 18 0.639 5.724 1.111 106 HE3 TRP 18 3HE TRP 18 -3.519 2.376 0.821 107 HZ2 TRP 18 2HZ TRP 18 0.362 4.123 3.419 108 HZ3 TRP 18 3HZ TRP 18 -2.986 1.502 3.059 109 HH2 TRP 18 HH TRP 18 -1.085 2.359 4.329 110 H VAL 19 H VAL 19 -3.831 1.457 -2.967 111 HA VAL 19 HA VAL 19 -5.276 2.633 -5.252 112 HB VAL 19 HB VAL 19 -5.663 0.223 -5.971 113 HG11 VAL 19 1HG1 VAL 19 -2.872 1.363 -6.050 114 HG12 VAL 19 2HG1 VAL 19 -3.471 0.077 -7.100 115 HG13 VAL 19 3HG1 VAL 19 -4.177 1.692 -7.189 116 HG21 VAL 19 1HG2 VAL 19 -3.398 -0.222 -4.030 117 HG22 VAL 19 2HG2 VAL 19 -5.024 -0.898 -3.929 118 HG23 VAL 19 3HG2 VAL 19 -3.942 -1.394 -5.230 119 H GLN 20 H GLN 20 -7.444 2.674 -5.140 120 HA GLN 20 HA GLN 20 -8.689 1.594 -2.725 121 HB2 GLN 20 1HB GLN 20 -8.970 4.017 -3.463 122 HB3 GLN 20 2HB GLN 20 -9.975 3.400 -4.767 123 HG2 GLN 20 1HG GLN 20 -11.314 2.247 -2.896 124 HG3 GLN 20 2HG GLN 20 -10.489 3.376 -1.823 125 HE21 GLN 20 1HE2 GLN 20 -12.306 4.510 -1.266 126 HE22 GLN 20 2HE2 GLN 20 -13.165 5.523 -2.371 127 H CYS 21 H CYS 21 -10.027 -0.098 -2.745 128 HA CYS 21 HA CYS 21 -10.257 -1.844 -4.867 129 HB2 CYS 21 1HB CYS 21 -10.813 -2.244 -2.408 130 HB3 CYS 21 2HB CYS 21 -12.391 -1.546 -2.757 131 H SER 22 H SER 22 -11.982 -2.387 -6.281 132 HA SER 22 HA SER 22 -13.298 -0.077 -7.384 133 HB2 SER 22 1HB SER 22 -12.545 -1.525 -9.051 134 HB3 SER 22 2HB SER 22 -13.066 -2.964 -8.174 135 HG SER 22 HG SER 22 -14.855 -1.044 -9.246 136 H PHE 23 H PHE 23 -14.157 -2.759 -5.354 137 HA PHE 23 HA PHE 23 -16.982 -2.556 -5.714 138 HB2 PHE 23 1HB PHE 23 -15.327 -3.852 -3.541 139 HB3 PHE 23 2HB PHE 23 -17.078 -3.989 -3.662 140 HD1 PHE 23 2HD PHE 23 -17.834 -4.672 -6.185 141 HD2 PHE 23 1HD PHE 23 -14.143 -5.648 -4.303 142 HE1 PHE 23 2HE PHE 23 -17.579 -6.598 -7.694 143 HE2 PHE 23 1HE PHE 23 -13.881 -7.576 -5.810 144 HZ PHE 23 HZ PHE 23 -15.601 -8.053 -7.508 145 HA PRO 24 HA PRO 24 -17.856 0.901 -3.136 146 HB2 PRO 24 1HB PRO 24 -20.441 0.339 -2.524 147 HB3 PRO 24 2HB PRO 24 -19.934 0.915 -4.116 148 HG2 PRO 24 1HG PRO 24 -20.524 -1.877 -3.211 149 HG3 PRO 24 2HG PRO 24 -20.989 -1.068 -4.719 150 HD2 PRO 24 1HD PRO 24 -18.905 -2.791 -4.573 151 HD3 PRO 24 2HD PRO 24 -18.924 -1.408 -5.685 152 H ASN 25 H ASN 25 -19.120 -2.202 -1.904 153 HA ASN 25 HA ASN 25 -19.315 -1.491 0.777 154 HB2 ASN 25 1HB ASN 25 -19.168 -3.936 1.239 155 HB3 ASN 25 2HB ASN 25 -20.309 -3.539 -0.042 156 HD21 ASN 25 1HD2 ASN 25 -16.995 -4.599 0.541 157 HD22 ASN 25 2HD2 ASN 25 -16.853 -5.538 -0.903 158 H CYS 26 H CYS 26 -16.534 -2.239 -1.138 159 HA CYS 26 HA CYS 26 -14.815 -2.667 1.160 160 HB2 CYS 26 1HB CYS 26 -14.656 -3.120 -1.704 161 HB3 CYS 26 2HB CYS 26 -13.201 -2.339 -1.093 162 H GLY 27 H GLY 27 -14.294 -0.554 -1.653 163 HA2 GLY 27 1HA GLY 27 -13.377 1.549 -1.793 164 HA3 GLY 27 2HA GLY 27 -14.426 1.916 -0.431 165 H LYS 28 H LYS 28 -11.897 -0.472 -0.198 166 HA LYS 28 HA LYS 28 -10.582 1.180 1.821 167 HB2 LYS 28 1HB LYS 28 -10.201 -1.730 1.094 168 HB3 LYS 28 2HB LYS 28 -9.378 -0.901 2.409 169 HG2 LYS 28 1HG LYS 28 -11.555 -0.476 3.473 170 HG3 LYS 28 2HG LYS 28 -12.343 -1.376 2.175 171 HD2 LYS 28 1HD LYS 28 -11.113 -3.382 2.796 172 HD3 LYS 28 2HD LYS 28 -10.261 -2.488 4.057 173 HE2 LYS 28 1HE LYS 28 -12.133 -3.844 4.930 174 HE3 LYS 28 2HE LYS 28 -12.325 -2.121 5.250 175 HZ1 LYS 28 1HZ LYS 28 -14.232 -3.660 4.204 176 HZ2 LYS 28 2HZ LYS 28 -13.521 -3.072 2.787 177 HZ3 LYS 28 3HZ LYS 28 -14.127 -1.992 3.940 178 H TRP 29 H TRP 29 -8.410 1.724 1.759 179 HA TRP 29 HA TRP 29 -7.237 1.727 -0.917 180 HB2 TRP 29 1HB TRP 29 -6.694 3.310 1.587 181 HB3 TRP 29 2HB TRP 29 -5.575 3.324 0.227 182 HD1 TRP 29 HD TRP 29 -8.882 4.740 1.383 183 HE1 TRP 29 1HE TRP 29 -9.749 6.416 -0.367 184 HE3 TRP 29 3HE TRP 29 -5.563 3.772 -2.383 185 HZ2 TRP 29 2HZ TRP 29 -9.112 7.220 -2.996 186 HZ3 TRP 29 3HZ TRP 29 -5.760 5.038 -4.483 187 HH2 TRP 29 HH TRP 29 -7.499 6.725 -4.782 188 H ARG 30 H ARG 30 -6.253 -0.207 -1.236 189 HA ARG 30 HA ARG 30 -4.717 -1.509 0.808 190 HB2 ARG 30 1HB ARG 30 -4.826 -2.084 -2.159 191 HB3 ARG 30 2HB ARG 30 -4.189 -3.152 -0.915 192 HG2 ARG 30 1HG ARG 30 -7.039 -2.219 -0.893 193 HG3 ARG 30 2HG ARG 30 -6.521 -3.638 -1.805 194 HD2 ARG 30 1HD ARG 30 -7.045 -4.684 0.135 195 HD3 ARG 30 2HD ARG 30 -5.396 -4.215 0.547 196 HE ARG 30 HE ARG 30 -6.825 -2.104 1.399 197 HH11 ARG 30 1HH1 ARG 30 -7.189 -5.532 1.883 198 HH12 ARG 30 2HH1 ARG 30 -7.917 -5.366 3.446 199 HH21 ARG 30 1HH2 ARG 30 -7.783 -1.872 3.456 200 HH22 ARG 30 2HH2 ARG 30 -8.255 -3.284 4.340 201 H ARG 31 H ARG 31 -2.427 -2.127 0.476 202 HA ARG 31 HA ARG 31 -0.912 0.181 -0.521 203 HB2 ARG 31 1HB ARG 31 -0.779 -0.851 1.918 204 HB3 ARG 31 2HB ARG 31 0.349 -1.953 1.139 205 HG2 ARG 31 1HG ARG 31 1.455 0.231 0.258 206 HG3 ARG 31 2HG ARG 31 0.582 0.984 1.594 207 HD2 ARG 31 1HD ARG 31 2.649 -1.199 1.726 208 HD3 ARG 31 2HD ARG 31 2.746 0.427 2.401 209 HE ARG 31 HE ARG 31 0.607 -0.630 3.666 210 HH11 ARG 31 1HH1 ARG 31 3.875 -1.729 3.186 211 HH12 ARG 31 2HH1 ARG 31 3.935 -2.613 4.675 212 HH21 ARG 31 1HH2 ARG 31 0.673 -1.791 5.629 213 HH22 ARG 31 2HH2 ARG 31 2.113 -2.649 6.063 214 H LEU 32 H LEU 32 0.575 -0.007 -2.107 215 HA LEU 32 HA LEU 32 1.063 -2.704 -3.190 216 HB2 LEU 32 1HB LEU 32 0.478 -0.113 -4.566 217 HB3 LEU 32 2HB LEU 32 1.415 -1.360 -5.386 218 HG LEU 32 HG LEU 32 -1.331 -1.869 -4.264 219 HD11 LEU 32 1HD1 LEU 32 -0.634 -1.085 -7.089 220 HD12 LEU 32 2HD1 LEU 32 -1.413 -0.030 -5.911 221 HD13 LEU 32 3HD1 LEU 32 -2.233 -1.489 -6.465 222 HD21 LEU 32 1HD2 LEU 32 0.657 -3.371 -5.852 223 HD22 LEU 32 2HD2 LEU 32 -1.030 -3.539 -6.338 224 HD23 LEU 32 3HD2 LEU 32 -0.541 -3.945 -4.692 225 H CYS 33 H CYS 33 3.078 -2.779 -4.580 226 HA CYS 33 HA CYS 33 5.265 -1.692 -3.036 227 HB2 CYS 33 1HB CYS 33 5.008 -4.061 -4.195 228 HB3 CYS 33 2HB CYS 33 5.705 -3.212 -5.569 229 HG CYS 33 HG CYS 33 7.546 -4.762 -3.860 230 H GLY 34 H GLY 34 7.156 -0.699 -4.146 231 HA2 GLY 34 1HA GLY 34 6.346 1.612 -5.570 232 HA3 GLY 34 2HA GLY 34 8.005 1.107 -5.284 233 H ASN 35 H ASN 35 7.209 -1.544 -6.617 234 HA ASN 35 HA ASN 35 8.182 -0.873 -9.200 235 HB2 ASN 35 1HB ASN 35 6.813 -3.475 -8.581 236 HB3 ASN 35 2HB ASN 35 8.185 -3.172 -9.643 237 HD21 ASN 35 1HD2 ASN 35 9.806 -1.686 -7.998 238 HD22 ASN 35 2HD2 ASN 35 10.341 -2.668 -6.681 239 H ILE 36 H ILE 36 5.004 -1.319 -7.845 240 HA ILE 36 HA ILE 36 3.726 -1.370 -10.454 241 HB ILE 36 HB ILE 36 2.456 -1.269 -7.715 242 HG12 ILE 36 1HG1 ILE 36 1.974 -3.764 -8.526 243 HG13 ILE 36 2HG1 ILE 36 3.477 -3.503 -9.403 244 HG21 ILE 36 1HG2 ILE 36 0.446 -2.060 -8.886 245 HG22 ILE 36 2HG2 ILE 36 0.972 -0.481 -9.465 246 HG23 ILE 36 3HG2 ILE 36 1.301 -1.925 -10.422 247 HD11 ILE 36 1HD1 ILE 36 3.464 -2.770 -6.544 248 HD12 ILE 36 2HD1 ILE 36 3.388 -4.488 -6.936 249 HD13 ILE 36 3HD1 ILE 36 4.729 -3.508 -7.526 250 H ASP 37 H ASP 37 2.456 0.249 -11.307 251 HA ASP 37 HA ASP 37 2.628 2.862 -9.954 252 HB2 ASP 37 1HB ASP 37 3.584 2.107 -12.509 253 HB3 ASP 37 2HB ASP 37 2.190 3.150 -12.776 254 HA PRO 38 HA PRO 38 -1.755 3.096 -10.038 255 HB2 PRO 38 1HB PRO 38 -2.103 5.784 -10.194 256 HB3 PRO 38 2HB PRO 38 -1.548 4.971 -8.726 257 HG2 PRO 38 1HG PRO 38 0.045 6.413 -10.810 258 HG3 PRO 38 2HG PRO 38 0.201 6.471 -9.044 259 HD2 PRO 38 1HD PRO 38 1.839 4.982 -10.603 260 HD3 PRO 38 2HD PRO 38 1.383 4.494 -8.958 261 H SER 39 H SER 39 0.155 4.276 -12.644 262 HA SER 39 HA SER 39 -2.131 4.889 -14.329 263 HB2 SER 39 1HB SER 39 -0.096 5.082 -16.044 264 HB3 SER 39 2HB SER 39 -0.468 6.368 -14.896 265 HG SER 39 HG SER 39 1.354 4.274 -14.332 266 H VAL 40 H VAL 40 0.110 2.302 -13.757 267 HA VAL 40 HA VAL 40 -0.735 0.878 -16.164 268 HB VAL 40 HB VAL 40 0.946 -0.805 -15.534 269 HG11 VAL 40 1HG1 VAL 40 2.186 1.931 -15.378 270 HG12 VAL 40 2HG1 VAL 40 2.852 0.467 -16.105 271 HG13 VAL 40 3HG1 VAL 40 1.484 1.285 -16.861 272 HG21 VAL 40 1HG2 VAL 40 1.498 1.025 -13.200 273 HG22 VAL 40 2HG2 VAL 40 0.802 -0.593 -13.112 274 HG23 VAL 40 3HG2 VAL 40 2.465 -0.377 -13.657 275 H LEU 41 H LEU 41 -2.739 1.308 -14.232 276 HA LEU 41 HA LEU 41 -3.173 -1.431 -13.235 277 HB2 LEU 41 1HB LEU 41 -3.937 1.223 -12.061 278 HB3 LEU 41 2HB LEU 41 -4.758 -0.266 -11.596 279 HG LEU 41 HG LEU 41 -1.792 0.185 -11.293 280 HD11 LEU 41 1HD1 LEU 41 -3.812 0.269 -9.077 281 HD12 LEU 41 2HD1 LEU 41 -3.317 1.723 -9.942 282 HD13 LEU 41 3HD1 LEU 41 -2.123 0.776 -9.055 283 HD21 LEU 41 1HD2 LEU 41 -3.695 -1.998 -10.561 284 HD22 LEU 41 2HD2 LEU 41 -2.267 -1.708 -9.567 285 HD23 LEU 41 3HD2 LEU 41 -2.087 -2.102 -11.277 286 HA PRO 42 HA PRO 42 -6.800 -1.687 -15.696 287 HB2 PRO 42 1HB PRO 42 -8.384 -3.244 -14.135 288 HB3 PRO 42 2HB PRO 42 -6.974 -3.869 -14.998 289 HG2 PRO 42 1HG PRO 42 -7.234 -3.068 -12.126 290 HG3 PRO 42 2HG PRO 42 -6.422 -4.481 -12.824 291 HD2 PRO 42 1HD PRO 42 -5.073 -2.273 -12.025 292 HD3 PRO 42 2HD PRO 42 -4.538 -3.278 -13.388 293 H ASP 43 H ASP 43 -9.370 -1.717 -15.239 294 HA ASP 43 HA ASP 43 -9.901 0.843 -13.915 295 HB2 ASP 43 1HB ASP 43 -11.882 -0.624 -15.631 296 HB3 ASP 43 2HB ASP 43 -11.747 1.106 -15.327 297 H ASN 44 H ASN 44 -10.603 -2.545 -13.726 298 HA ASN 44 HA ASN 44 -12.501 -2.030 -11.533 299 HB2 ASN 44 1HB ASN 44 -13.202 -4.453 -11.968 300 HB3 ASN 44 2HB ASN 44 -13.658 -3.264 -13.185 301 HD21 ASN 44 1HD2 ASN 44 -13.481 -4.063 -15.137 302 HD22 ASN 44 2HD2 ASN 44 -12.229 -5.111 -15.705 303 H TRP 45 H TRP 45 -9.911 -1.770 -10.851 304 HA TRP 45 HA TRP 45 -8.676 -4.193 -10.012 305 HB2 TRP 45 1HB TRP 45 -7.462 -2.043 -10.425 306 HB3 TRP 45 2HB TRP 45 -8.190 -1.401 -8.955 307 HD1 TRP 45 HD TRP 45 -5.368 -3.590 -10.169 308 HE1 TRP 45 1HE TRP 45 -3.937 -4.332 -8.162 309 HE3 TRP 45 3HE TRP 45 -8.409 -2.009 -6.376 310 HZ2 TRP 45 2HZ TRP 45 -4.080 -4.258 -5.344 311 HZ3 TRP 45 3HZ TRP 45 -7.689 -2.384 -4.053 312 HH2 TRP 45 HH TRP 45 -5.569 -3.486 -3.550 313 H SER 46 H SER 46 -8.522 -5.092 -7.955 314 HA SER 46 HA SER 46 -10.260 -4.011 -5.862 315 HB2 SER 46 1HB SER 46 -11.008 -6.468 -5.466 316 HB3 SER 46 2HB SER 46 -11.779 -5.550 -6.759 317 HG SER 46 HG SER 46 -11.217 -7.363 -7.771 318 H CYS 47 H CYS 47 -10.020 -5.563 -3.842 319 HA CYS 47 HA CYS 47 -7.372 -5.341 -2.963 320 HB2 CYS 47 1HB CYS 47 -9.501 -7.167 -1.830 321 HB3 CYS 47 2HB CYS 47 -8.088 -6.543 -0.985 322 H ASP 48 H ASP 48 -9.078 -7.960 -4.521 323 HA ASP 48 HA ASP 48 -7.275 -10.043 -3.924 324 HB2 ASP 48 1HB ASP 48 -9.500 -10.513 -4.782 325 HB3 ASP 48 2HB ASP 48 -9.126 -9.681 -6.289 326 H GLN 49 H GLN 49 -7.000 -7.334 -5.970 327 HA GLN 49 HA GLN 49 -4.877 -8.571 -7.564 328 HB2 GLN 49 1HB GLN 49 -6.367 -5.963 -7.837 329 HB3 GLN 49 2HB GLN 49 -4.966 -6.368 -8.819 330 HG2 GLN 49 1HG GLN 49 -6.111 -8.253 -9.770 331 HG3 GLN 49 2HG GLN 49 -7.484 -8.009 -8.691 332 HE21 GLN 49 1HE2 GLN 49 -9.148 -7.225 -9.746 333 HE22 GLN 49 2HE2 GLN 49 -9.099 -6.033 -10.995 334 H ASN 50 H ASN 50 -4.637 -7.845 -4.693 335 HA ASN 50 HA ASN 50 -2.724 -5.643 -4.750 336 HB2 ASN 50 1HB ASN 50 -4.562 -6.120 -2.925 337 HB3 ASN 50 2HB ASN 50 -3.342 -7.213 -2.277 338 HD21 ASN 50 1HD2 ASN 50 -2.491 -6.248 -0.577 339 HD22 ASN 50 2HD2 ASN 50 -1.905 -4.623 -0.524 340 H THR 51 H THR 51 -0.583 -5.855 -3.940 341 HA THR 51 HA THR 51 0.599 -8.437 -4.575 342 HB THR 51 HB THR 51 2.752 -7.290 -4.472 343 HG1 THR 51 1HG THR 51 2.307 -5.794 -2.816 344 HG21 THR 51 1HG2 THR 51 0.662 -6.721 -6.287 345 HG22 THR 51 2HG2 THR 51 2.400 -6.635 -6.572 346 HG23 THR 51 3HG2 THR 51 1.527 -5.211 -6.008 347 H ASP 52 H ASP 52 -0.182 -6.515 -1.822 348 HA ASP 52 HA ASP 52 1.618 -7.965 -0.057 349 HB2 ASP 52 1HB ASP 52 1.143 -5.507 0.213 350 HB3 ASP 52 2HB ASP 52 -0.496 -5.940 0.692 351 H VAL 53 H VAL 53 1.036 -9.975 0.453 352 HA VAL 53 HA VAL 53 -1.513 -11.072 0.311 353 HB VAL 53 HB VAL 53 -0.676 -12.923 1.648 354 HG11 VAL 53 1HG1 VAL 53 1.748 -12.892 0.338 355 HG12 VAL 53 2HG1 VAL 53 0.216 -13.460 -0.328 356 HG13 VAL 53 3HG1 VAL 53 0.750 -11.806 -0.628 357 HG21 VAL 53 1HG2 VAL 53 1.781 -12.681 2.438 358 HG22 VAL 53 2HG2 VAL 53 1.446 -10.950 2.399 359 HG23 VAL 53 3HG2 VAL 53 0.489 -12.010 3.433 360 H GLN 54 H GLN 54 -0.063 -9.133 2.784 361 HA GLN 54 HA GLN 54 -1.732 -9.880 4.943 362 HB2 GLN 54 1HB GLN 54 -0.398 -7.205 4.514 363 HB3 GLN 54 2HB GLN 54 -0.921 -7.894 6.045 364 HG2 GLN 54 1HG GLN 54 0.745 -9.825 5.276 365 HG3 GLN 54 2HG GLN 54 1.481 -8.469 4.424 366 HE21 GLN 54 1HE2 GLN 54 2.164 -10.164 6.873 367 HE22 GLN 54 2HE2 GLN 54 2.608 -8.994 8.063 368 H TYR 55 H TYR 55 -2.233 -7.916 2.168 369 HA TYR 55 HA TYR 55 -4.950 -7.349 3.064 370 HB2 TYR 55 1HB TYR 55 -3.082 -5.197 2.048 371 HB3 TYR 55 2HB TYR 55 -4.801 -4.988 2.365 372 HD1 TYR 55 1HD TYR 55 -1.507 -5.545 3.921 373 HD2 TYR 55 2HD TYR 55 -5.621 -4.696 4.595 374 HE1 TYR 55 1HE TYR 55 -0.997 -4.956 6.254 375 HE2 TYR 55 2HE TYR 55 -5.123 -4.104 6.930 376 HH TYR 55 HH TYR 55 -3.495 -4.395 8.595 377 H ASN 56 H ASN 56 -4.478 -9.259 1.305 378 HA ASN 56 HA ASN 56 -4.926 -8.064 -1.348 379 HB2 ASN 56 1HB ASN 56 -3.930 -9.918 -2.346 380 HB3 ASN 56 2HB ASN 56 -2.959 -9.708 -0.892 381 HD21 ASN 56 1HD2 ASN 56 -3.404 -11.082 0.921 382 HD22 ASN 56 2HD2 ASN 56 -4.066 -12.657 0.665 383 H ARG 57 H ARG 57 -6.868 -8.600 0.892 384 HA ARG 57 HA ARG 57 -8.782 -10.157 -0.708 385 HB2 ARG 57 1HB ARG 57 -8.479 -10.296 2.298 386 HB3 ARG 57 2HB ARG 57 -9.703 -11.128 1.349 387 HG2 ARG 57 1HG ARG 57 -7.050 -11.720 0.380 388 HG3 ARG 57 2HG ARG 57 -7.214 -12.100 2.096 389 HD2 ARG 57 1HD ARG 57 -9.254 -13.392 1.578 390 HD3 ARG 57 2HD ARG 57 -9.000 -13.063 -0.136 391 HE ARG 57 HE ARG 57 -6.733 -14.289 1.112 392 HH11 ARG 57 1HH1 ARG 57 -9.833 -14.890 -0.354 393 HH12 ARG 57 2HH1 ARG 57 -9.445 -16.513 -0.819 394 HH21 ARG 57 1HH2 ARG 57 -6.210 -16.424 0.505 395 HH22 ARG 57 2HH2 ARG 57 -7.384 -17.385 -0.329 396 H CYS 58 H CYS 58 -11.024 -9.631 -0.317 397 HA CYS 58 HA CYS 58 -11.375 -6.797 0.157 398 HB2 CYS 58 1HB CYS 58 -13.150 -8.996 -0.873 399 HB3 CYS 58 2HB CYS 58 -13.816 -7.424 -0.440 400 H ASP 59 H ASP 59 -11.186 -9.339 2.162 401 HA ASP 59 HA ASP 59 -13.356 -8.457 3.933 402 HB2 ASP 59 1HB ASP 59 -12.902 -10.947 3.263 403 HB3 ASP 59 2HB ASP 59 -11.634 -10.849 4.482 404 H ILE 60 H ILE 60 -9.929 -8.471 3.557 405 HA ILE 60 HA ILE 60 -9.198 -8.110 6.272 406 HB ILE 60 HB ILE 60 -7.733 -7.278 3.765 407 HG12 ILE 60 1HG1 ILE 60 -7.113 -9.653 5.503 408 HG13 ILE 60 2HG1 ILE 60 -8.308 -9.765 4.215 409 HG21 ILE 60 1HG2 ILE 60 -6.738 -7.539 6.600 410 HG22 ILE 60 2HG2 ILE 60 -5.739 -7.206 5.187 411 HG23 ILE 60 3HG2 ILE 60 -6.951 -6.034 5.705 412 HD11 ILE 60 1HD1 ILE 60 -6.455 -10.480 3.111 413 HD12 ILE 60 2HD1 ILE 60 -6.348 -8.750 2.781 414 HD13 ILE 60 3HD1 ILE 60 -5.363 -9.467 4.056 415 HA PRO 61 HA PRO 61 -10.546 -3.933 6.841 416 HB2 PRO 61 1HB PRO 61 -9.226 -3.465 9.167 417 HB3 PRO 61 2HB PRO 61 -10.687 -4.456 9.074 418 HG2 PRO 61 1HG PRO 61 -7.821 -5.313 9.189 419 HG3 PRO 61 2HG PRO 61 -9.224 -5.981 10.044 420 HD2 PRO 61 1HD PRO 61 -8.185 -7.135 7.826 421 HD3 PRO 61 2HD PRO 61 -9.916 -7.202 8.215 422 H GLU 62 H GLU 62 -9.616 -1.769 7.108 423 HA GLU 62 HA GLU 62 -7.257 -1.458 5.503 424 HB2 GLU 62 1HB GLU 62 -9.025 0.540 6.917 425 HB3 GLU 62 2HB GLU 62 -7.655 0.992 5.914 426 HG2 GLU 62 1HG GLU 62 -8.678 0.162 3.963 427 HG3 GLU 62 2HG GLU 62 -9.915 -0.691 4.884 428 H GLU 63 H GLU 63 -5.361 -0.272 6.124 429 HA GLU 63 HA GLU 63 -4.210 -1.153 8.521 430 HB2 GLU 63 1HB GLU 63 -3.130 -0.255 6.309 431 HB3 GLU 63 2HB GLU 63 -3.202 1.299 7.128 432 HG2 GLU 63 1HG GLU 63 -1.982 0.170 9.048 433 HG3 GLU 63 2HG GLU 63 -1.679 -1.157 7.927 434 H THR 64 H THR 64 -3.829 -0.187 10.480 435 HA THR 64 HA THR 64 -5.737 1.705 11.387 436 HB THR 64 HB THR 64 -4.101 1.749 13.441 437 HG1 THR 64 1HG THR 64 -2.313 0.753 12.670 438 HG21 THR 64 1HG2 THR 64 -5.440 0.176 14.374 439 HG22 THR 64 2HG2 THR 64 -5.185 -0.973 13.060 440 HG23 THR 64 3HG2 THR 64 -6.329 0.353 12.862 441 H TRP 65 H TRP 65 -5.685 3.773 10.787 442 HA TRP 65 HA TRP 65 -3.476 5.174 9.834 443 HB2 TRP 65 1HB TRP 65 -4.834 7.221 10.271 444 HB3 TRP 65 2HB TRP 65 -5.716 5.965 9.407 445 HD1 TRP 65 HD TRP 65 -5.394 7.358 13.008 446 HE1 TRP 65 1HE TRP 65 -7.653 7.018 14.195 447 HE3 TRP 65 3HE TRP 65 -7.861 4.791 9.339 448 HZ2 TRP 65 2HZ TRP 65 -10.150 5.820 13.648 449 HZ3 TRP 65 3HZ TRP 65 -10.182 4.084 9.751 450 HH2 TRP 65 HH TRP 65 -11.300 4.589 11.861 451 H THR 66 H THR 66 -2.465 7.111 10.832 452 HA THR 66 HA THR 66 -2.144 6.858 13.743 453 HB THR 66 HB THR 66 0.342 7.505 13.249 454 HG1 THR 66 1HG THR 66 0.490 7.650 11.097 455 HG21 THR 66 1HG2 THR 66 0.901 5.360 13.767 456 HG22 THR 66 2HG2 THR 66 -0.155 4.673 12.533 457 HG23 THR 66 3HG2 THR 66 -0.834 5.242 14.057 458 H GLY 67 H GLY 67 -2.238 8.743 14.803 459 HA2 GLY 67 1HA GLY 67 -2.931 11.135 13.507 460 HA3 GLY 67 2HA GLY 67 -2.435 10.997 15.187 461 H LEU 68 H LEU 68 0.166 10.099 14.902 462 HA LEU 68 HA LEU 68 1.429 12.463 13.697 463 HB2 LEU 68 1HB LEU 68 1.807 12.257 16.068 464 HB3 LEU 68 2HB LEU 68 2.370 10.599 15.870 465 HG LEU 68 HG LEU 68 4.341 11.420 14.662 466 HD11 LEU 68 1HD1 LEU 68 4.183 13.409 13.676 467 HD12 LEU 68 2HD1 LEU 68 4.469 14.110 15.269 468 HD13 LEU 68 3HD1 LEU 68 2.819 13.890 14.686 469 HD21 LEU 68 1HD2 LEU 68 4.701 11.078 16.956 470 HD22 LEU 68 2HD2 LEU 68 3.781 12.515 17.403 471 HD23 LEU 68 3HD2 LEU 68 5.357 12.681 16.628 472 H GLU 69 H GLU 69 2.821 12.261 12.053 473 HA GLU 69 HA GLU 69 3.270 9.615 10.948 474 HB2 GLU 69 1HB GLU 69 2.627 11.735 9.625 475 HB3 GLU 69 2HB GLU 69 4.317 12.190 9.799 476 HG2 GLU 69 1HG GLU 69 4.983 10.118 8.679 477 HG3 GLU 69 2HG GLU 69 3.285 9.685 8.486 Start of MODEL 7 1 H1 GLY 1 H GLY 1 16.685 13.533 16.830 2 HA2 GLY 1 1HA GLY 1 17.032 12.388 18.957 3 HA3 GLY 1 2HA GLY 1 18.727 12.838 18.847 4 H SER 2 H SER 2 19.350 14.537 19.998 5 HA SER 2 HA SER 2 17.628 15.964 21.664 6 HB2 SER 2 1HB SER 2 20.144 15.694 21.903 7 HB3 SER 2 2HB SER 2 20.308 16.981 20.708 8 HG SER 2 HG SER 2 19.799 17.172 23.338 9 H SER 3 H SER 3 19.407 17.273 18.860 10 HA SER 3 HA SER 3 17.198 19.189 18.486 11 HB2 SER 3 1HB SER 3 18.902 20.707 17.473 12 HB3 SER 3 2HB SER 3 19.207 20.358 19.174 13 HG SER 3 HG SER 3 20.696 19.734 16.956 14 H GLY 4 H GLY 4 19.420 16.955 16.967 15 HA2 GLY 4 1HA GLY 4 19.066 15.759 15.000 16 HA3 GLY 4 2HA GLY 4 17.668 16.770 14.667 17 H SER 5 H SER 5 18.415 16.870 12.472 18 HA SER 5 HA SER 5 20.416 18.982 12.109 19 HB2 SER 5 1HB SER 5 21.779 17.189 11.535 20 HB3 SER 5 2HB SER 5 20.439 16.246 10.883 21 HG SER 5 HG SER 5 21.844 17.130 9.262 22 H SER 6 H SER 6 20.113 20.286 10.288 23 HA SER 6 HA SER 6 17.399 20.529 9.432 24 HB2 SER 6 1HB SER 6 18.544 22.576 9.671 25 HB3 SER 6 2HB SER 6 19.941 22.000 8.761 26 HG SER 6 HG SER 6 19.015 22.796 7.065 27 H GLY 7 H GLY 7 16.981 18.550 8.361 28 HA2 GLY 7 1HA GLY 7 17.757 18.605 5.558 29 HA3 GLY 7 2HA GLY 7 18.262 17.183 6.459 30 H GLU 8 H GLU 8 15.787 18.603 4.670 31 HA GLU 8 HA GLU 8 14.009 16.365 5.331 32 HB2 GLU 8 1HB GLU 8 13.362 19.282 5.419 33 HB3 GLU 8 2HB GLU 8 12.118 18.154 4.899 34 HG2 GLU 8 1HG GLU 8 13.568 18.146 7.535 35 HG3 GLU 8 2HG GLU 8 11.887 18.592 7.249 36 H ILE 9 H ILE 9 13.881 15.228 3.515 37 HA ILE 9 HA ILE 9 13.722 14.668 1.313 38 HB ILE 9 HB ILE 9 12.182 17.247 1.034 39 HG12 ILE 9 1HG1 ILE 9 11.194 14.525 1.912 40 HG13 ILE 9 2HG1 ILE 9 11.344 15.941 2.946 41 HG21 ILE 9 1HG2 ILE 9 12.928 15.627 -0.939 42 HG22 ILE 9 2HG2 ILE 9 11.479 14.766 -0.423 43 HG23 ILE 9 3HG2 ILE 9 11.368 16.450 -0.933 44 HD11 ILE 9 1HD1 ILE 9 9.277 15.237 0.989 45 HD12 ILE 9 2HD1 ILE 9 9.174 16.201 2.463 46 HD13 ILE 9 3HD1 ILE 9 9.785 16.926 0.977 47 H SER 10 H SER 10 16.122 15.316 1.424 48 HA SER 10 HA SER 10 16.679 17.591 -0.347 49 HB2 SER 10 1HB SER 10 18.852 17.678 0.553 50 HB3 SER 10 2HB SER 10 17.835 17.299 1.943 51 HG SER 10 HG SER 10 18.462 15.157 1.785 52 H GLY 11 H GLY 11 16.847 14.132 -0.106 53 HA2 GLY 11 1HA GLY 11 17.975 14.056 -2.834 54 HA3 GLY 11 2HA GLY 11 18.490 12.921 -1.596 55 H PHE 12 H PHE 12 17.785 11.017 -2.383 56 HA PHE 12 HA PHE 12 15.074 10.802 -3.432 57 HB2 PHE 12 1HB PHE 12 17.159 9.712 -4.484 58 HB3 PHE 12 2HB PHE 12 17.040 8.537 -3.179 59 HD1 PHE 12 1HD PHE 12 15.013 7.111 -2.993 60 HD2 PHE 12 2HD PHE 12 15.724 9.623 -6.354 61 HE1 PHE 12 1HE PHE 12 13.364 5.830 -4.295 62 HE2 PHE 12 2HE PHE 12 14.076 8.347 -7.661 63 HZ PHE 12 HZ PHE 12 12.893 6.448 -6.632 64 H GLY 13 H GLY 13 13.835 11.050 -1.555 65 HA2 GLY 13 1HA GLY 13 14.263 9.585 0.830 66 HA3 GLY 13 2HA GLY 13 12.772 10.393 0.372 67 H GLN 14 H GLN 14 11.106 9.226 -0.507 68 HA GLN 14 HA GLN 14 11.379 6.587 -1.508 69 HB2 GLN 14 1HB GLN 14 10.248 5.364 0.275 70 HB3 GLN 14 2HB GLN 14 11.745 6.075 0.863 71 HG2 GLN 14 1HG GLN 14 10.508 7.867 1.926 72 HG3 GLN 14 2HG GLN 14 8.996 7.222 1.289 73 HE21 GLN 14 1HE2 GLN 14 9.434 7.663 3.996 74 HE22 GLN 14 2HE2 GLN 14 9.453 6.142 4.813 75 H CYS 15 H CYS 15 9.637 6.065 -2.706 76 HA CYS 15 HA CYS 15 7.344 7.891 -2.580 77 HB2 CYS 15 1HB CYS 15 8.060 5.973 -4.803 78 HB3 CYS 15 2HB CYS 15 6.884 7.280 -4.863 79 HG CYS 15 HG CYS 15 9.888 8.422 -4.064 80 H LEU 16 H LEU 16 5.205 7.089 -2.682 81 HA LEU 16 HA LEU 16 4.805 4.230 -2.278 82 HB2 LEU 16 1HB LEU 16 3.351 4.681 -0.301 83 HB3 LEU 16 2HB LEU 16 5.073 4.938 -0.031 84 HG LEU 16 HG LEU 16 4.454 7.439 -0.562 85 HD11 LEU 16 1HD1 LEU 16 2.016 7.289 0.844 86 HD12 LEU 16 2HD1 LEU 16 1.897 6.175 -0.518 87 HD13 LEU 16 3HD1 LEU 16 2.295 7.871 -0.798 88 HD21 LEU 16 1HD2 LEU 16 4.510 7.855 1.712 89 HD22 LEU 16 2HD2 LEU 16 5.253 6.259 1.606 90 HD23 LEU 16 3HD2 LEU 16 3.568 6.416 2.105 91 H VAL 17 H VAL 17 2.874 3.499 -3.032 92 HA VAL 17 HA VAL 17 0.935 5.517 -3.956 93 HB VAL 17 HB VAL 17 0.430 3.936 -5.861 94 HG11 VAL 17 1HG1 VAL 17 2.756 4.564 -6.992 95 HG12 VAL 17 2HG1 VAL 17 1.515 5.772 -6.651 96 HG13 VAL 17 3HG1 VAL 17 2.881 5.575 -5.552 97 HG21 VAL 17 1HG2 VAL 17 1.802 2.162 -6.388 98 HG22 VAL 17 2HG2 VAL 17 3.162 2.798 -5.463 99 HG23 VAL 17 3HG2 VAL 17 1.788 2.075 -4.627 100 H TRP 18 H TRP 18 -1.246 4.941 -3.888 101 HA TRP 18 HA TRP 18 -1.869 2.428 -2.489 102 HB2 TRP 18 1HB TRP 18 -3.022 5.166 -1.919 103 HB3 TRP 18 2HB TRP 18 -3.642 3.663 -1.241 104 HD1 TRP 18 HD TRP 18 -0.290 5.627 -1.280 105 HE1 TRP 18 1HE TRP 18 0.852 5.281 1.001 106 HE3 TRP 18 3HE TRP 18 -3.652 2.404 0.830 107 HZ2 TRP 18 2HZ TRP 18 0.389 3.832 3.379 108 HZ3 TRP 18 3HZ TRP 18 -3.228 1.584 3.110 109 HH2 TRP 18 HH TRP 18 -1.248 2.284 4.357 110 H VAL 19 H VAL 19 -3.814 1.438 -3.025 111 HA VAL 19 HA VAL 19 -5.274 2.621 -5.296 112 HB VAL 19 HB VAL 19 -5.668 0.240 -6.064 113 HG11 VAL 19 1HG1 VAL 19 -3.493 0.088 -7.206 114 HG12 VAL 19 2HG1 VAL 19 -4.149 1.726 -7.235 115 HG13 VAL 19 3HG1 VAL 19 -2.850 1.315 -6.115 116 HG21 VAL 19 1HG2 VAL 19 -5.051 -0.935 -4.048 117 HG22 VAL 19 2HG2 VAL 19 -3.974 -1.420 -5.357 118 HG23 VAL 19 3HG2 VAL 19 -3.413 -0.284 -4.130 119 H GLN 20 H GLN 20 -7.437 2.663 -5.131 120 HA GLN 20 HA GLN 20 -8.628 1.549 -2.705 121 HB2 GLN 20 1HB GLN 20 -8.917 3.989 -3.488 122 HB3 GLN 20 2HB GLN 20 -10.028 3.331 -4.682 123 HG2 GLN 20 1HG GLN 20 -11.300 2.299 -2.784 124 HG3 GLN 20 2HG GLN 20 -10.275 3.224 -1.690 125 HE21 GLN 20 1HE2 GLN 20 -11.966 4.426 -0.876 126 HE22 GLN 20 2HE2 GLN 20 -12.774 5.644 -1.797 127 H CYS 21 H CYS 21 -10.033 -0.099 -2.705 128 HA CYS 21 HA CYS 21 -10.274 -1.868 -4.806 129 HB2 CYS 21 1HB CYS 21 -10.862 -2.219 -2.343 130 HB3 CYS 21 2HB CYS 21 -12.428 -1.511 -2.727 131 H SER 22 H SER 22 -12.093 -2.448 -6.144 132 HA SER 22 HA SER 22 -13.332 -0.112 -7.315 133 HB2 SER 22 1HB SER 22 -12.617 -1.563 -8.982 134 HB3 SER 22 2HB SER 22 -13.091 -3.001 -8.077 135 HG SER 22 HG SER 22 -14.882 -2.940 -9.151 136 H PHE 23 H PHE 23 -14.226 -2.748 -5.246 137 HA PHE 23 HA PHE 23 -17.052 -2.505 -5.624 138 HB2 PHE 23 1HB PHE 23 -15.446 -3.826 -3.428 139 HB3 PHE 23 2HB PHE 23 -17.193 -3.959 -3.606 140 HD1 PHE 23 2HD PHE 23 -17.910 -4.678 -6.101 141 HD2 PHE 23 1HD PHE 23 -14.201 -5.573 -4.213 142 HE1 PHE 23 2HE PHE 23 -17.609 -6.598 -7.610 143 HE2 PHE 23 1HE PHE 23 -13.894 -7.494 -5.720 144 HZ PHE 23 HZ PHE 23 -15.600 -8.010 -7.420 145 HA PRO 24 HA PRO 24 -17.875 0.951 -3.029 146 HB2 PRO 24 1HB PRO 24 -20.458 0.415 -2.392 147 HB3 PRO 24 2HB PRO 24 -19.962 0.986 -3.989 148 HG2 PRO 24 1HG PRO 24 -20.570 -1.800 -3.078 149 HG3 PRO 24 2HG PRO 24 -21.042 -0.987 -4.581 150 HD2 PRO 24 1HD PRO 24 -18.974 -2.730 -4.456 151 HD3 PRO 24 2HD PRO 24 -18.991 -1.347 -5.568 152 H ASN 25 H ASN 25 -19.162 -2.138 -1.784 153 HA ASN 25 HA ASN 25 -19.315 -1.420 0.900 154 HB2 ASN 25 1HB ASN 25 -19.343 -3.809 1.385 155 HB3 ASN 25 2HB ASN 25 -20.311 -3.476 -0.047 156 HD21 ASN 25 1HD2 ASN 25 -19.880 -4.551 -1.854 157 HD22 ASN 25 2HD2 ASN 25 -18.503 -5.563 -2.109 158 H CYS 26 H CYS 26 -16.571 -2.189 -1.051 159 HA CYS 26 HA CYS 26 -14.830 -2.667 1.221 160 HB2 CYS 26 1HB CYS 26 -14.711 -3.086 -1.652 161 HB3 CYS 26 2HB CYS 26 -13.235 -2.343 -1.043 162 H GLY 27 H GLY 27 -14.311 -0.535 -1.577 163 HA2 GLY 27 1HA GLY 27 -13.372 1.558 -1.708 164 HA3 GLY 27 2HA GLY 27 -14.394 1.924 -0.326 165 H LYS 28 H LYS 28 -11.907 -0.507 -0.142 166 HA LYS 28 HA LYS 28 -10.531 1.110 1.863 167 HB2 LYS 28 1HB LYS 28 -10.198 -1.802 1.115 168 HB3 LYS 28 2HB LYS 28 -9.364 -0.991 2.434 169 HG2 LYS 28 1HG LYS 28 -11.537 -0.547 3.502 170 HG3 LYS 28 2HG LYS 28 -12.334 -1.435 2.201 171 HD2 LYS 28 1HD LYS 28 -11.142 -3.457 2.815 172 HD3 LYS 28 2HD LYS 28 -10.251 -2.581 4.061 173 HE2 LYS 28 1HE LYS 28 -12.128 -3.899 4.972 174 HE3 LYS 28 2HE LYS 28 -12.288 -2.173 5.288 175 HZ1 LYS 28 1HZ LYS 28 -14.380 -3.152 4.570 176 HZ2 LYS 28 2HZ LYS 28 -13.671 -3.660 3.121 177 HZ3 LYS 28 3HZ LYS 28 -13.837 -2.009 3.448 178 H TRP 29 H TRP 29 -8.331 1.575 1.787 179 HA TRP 29 HA TRP 29 -7.203 1.586 -0.912 180 HB2 TRP 29 1HB TRP 29 -6.582 3.137 1.595 181 HB3 TRP 29 2HB TRP 29 -5.496 3.144 0.208 182 HD1 TRP 29 HD TRP 29 -8.801 4.549 1.423 183 HE1 TRP 29 1HE TRP 29 -9.658 6.280 -0.278 184 HE3 TRP 29 3HE TRP 29 -5.461 3.698 -2.352 185 HZ2 TRP 29 2HZ TRP 29 -9.004 7.167 -2.877 186 HZ3 TRP 29 3HZ TRP 29 -5.645 5.029 -4.413 187 HH2 TRP 29 HH TRP 29 -7.381 6.727 -4.668 188 H ARG 30 H ARG 30 -6.137 -0.255 -1.336 189 HA ARG 30 HA ARG 30 -4.609 -1.612 0.713 190 HB2 ARG 30 1HB ARG 30 -4.854 -2.246 -2.233 191 HB3 ARG 30 2HB ARG 30 -4.197 -3.302 -0.990 192 HG2 ARG 30 1HG ARG 30 -7.020 -2.298 -0.879 193 HG3 ARG 30 2HG ARG 30 -6.574 -3.746 -1.784 194 HD2 ARG 30 1HD ARG 30 -6.998 -4.779 0.174 195 HD3 ARG 30 2HD ARG 30 -5.360 -4.259 0.565 196 HE ARG 30 HE ARG 30 -6.835 -2.168 1.385 197 HH11 ARG 30 1HH1 ARG 30 -7.114 -5.594 1.937 198 HH12 ARG 30 2HH1 ARG 30 -7.839 -5.416 3.500 199 HH21 ARG 30 1HH2 ARG 30 -7.788 -1.920 3.442 200 HH22 ARG 30 2HH2 ARG 30 -8.222 -3.325 4.355 201 H ARG 31 H ARG 31 -2.592 -1.081 1.191 202 HA ARG 31 HA ARG 31 -1.052 0.751 -0.295 203 HB2 ARG 31 1HB ARG 31 0.750 0.233 1.258 204 HB3 ARG 31 2HB ARG 31 -0.772 0.397 2.124 205 HG2 ARG 31 1HG ARG 31 -0.929 -1.892 2.529 206 HG3 ARG 31 2HG ARG 31 0.244 -2.287 1.271 207 HD2 ARG 31 1HD ARG 31 2.051 -1.618 2.573 208 HD3 ARG 31 2HD ARG 31 1.044 -0.634 3.635 209 HE ARG 31 HE ARG 31 0.156 -3.172 4.047 210 HH11 ARG 31 1HH1 ARG 31 3.270 -1.623 4.197 211 HH12 ARG 31 2HH1 ARG 31 3.881 -2.679 5.427 212 HH21 ARG 31 1HH2 ARG 31 0.949 -4.569 5.667 213 HH22 ARG 31 2HH2 ARG 31 2.560 -4.354 6.262 214 H LEU 32 H LEU 32 0.725 0.482 -1.626 215 HA LEU 32 HA LEU 32 1.208 -2.259 -2.593 216 HB2 LEU 32 1HB LEU 32 0.900 0.300 -4.129 217 HB3 LEU 32 2HB LEU 32 1.746 -1.089 -4.807 218 HG LEU 32 HG LEU 32 -1.069 -1.338 -3.804 219 HD11 LEU 32 1HD1 LEU 32 -1.783 -0.961 -6.164 220 HD12 LEU 32 2HD1 LEU 32 -0.166 -0.343 -6.498 221 HD13 LEU 32 3HD1 LEU 32 -1.203 0.485 -5.338 222 HD21 LEU 32 1HD2 LEU 32 0.698 -2.850 -5.707 223 HD22 LEU 32 2HD2 LEU 32 -1.051 -3.078 -5.657 224 HD23 LEU 32 3HD2 LEU 32 -0.074 -3.427 -4.230 225 H CYS 33 H CYS 33 3.332 -2.338 -3.895 226 HA CYS 33 HA CYS 33 5.464 -1.831 -2.194 227 HB2 CYS 33 1HB CYS 33 5.322 -2.382 -5.149 228 HB3 CYS 33 2HB CYS 33 6.864 -2.123 -4.343 229 HG CYS 33 HG CYS 33 6.955 -4.745 -4.276 230 H GLY 34 H GLY 34 4.903 -0.169 -5.307 231 HA2 GLY 34 1HA GLY 34 4.932 2.431 -4.573 232 HA3 GLY 34 2HA GLY 34 6.635 2.003 -4.503 233 H ASN 35 H ASN 35 6.289 0.070 -6.744 234 HA ASN 35 HA ASN 35 6.540 2.033 -8.887 235 HB2 ASN 35 1HB ASN 35 7.426 0.075 -10.192 236 HB3 ASN 35 2HB ASN 35 8.357 0.470 -8.750 237 HD21 ASN 35 1HD2 ASN 35 8.427 -0.956 -7.062 238 HD22 ASN 35 2HD2 ASN 35 7.795 -2.561 -7.153 239 H ILE 36 H ILE 36 3.959 1.886 -8.155 240 HA ILE 36 HA ILE 36 2.733 0.527 -10.448 241 HB ILE 36 HB ILE 36 1.613 0.469 -7.643 242 HG12 ILE 36 1HG1 ILE 36 1.790 -2.103 -8.292 243 HG13 ILE 36 2HG1 ILE 36 3.080 -1.507 -9.331 244 HG21 ILE 36 1HG2 ILE 36 0.239 -1.281 -9.383 245 HG22 ILE 36 2HG2 ILE 36 -0.377 0.157 -8.570 246 HG23 ILE 36 3HG2 ILE 36 0.329 0.289 -10.181 247 HD11 ILE 36 1HD1 ILE 36 3.139 -0.577 -6.539 248 HD12 ILE 36 2HD1 ILE 36 3.452 -2.293 -6.802 249 HD13 ILE 36 3HD1 ILE 36 4.452 -1.081 -7.602 250 H ASP 37 H ASP 37 1.332 1.759 -11.544 251 HA ASP 37 HA ASP 37 0.455 4.281 -10.294 252 HB2 ASP 37 1HB ASP 37 1.948 3.878 -12.663 253 HB3 ASP 37 2HB ASP 37 0.342 4.403 -13.161 254 HA PRO 38 HA PRO 38 -3.717 3.083 -10.957 255 HB2 PRO 38 1HB PRO 38 -4.883 5.513 -11.287 256 HB3 PRO 38 2HB PRO 38 -4.305 4.929 -9.722 257 HG2 PRO 38 1HG PRO 38 -2.986 6.802 -11.649 258 HG3 PRO 38 2HG PRO 38 -3.103 6.913 -9.883 259 HD2 PRO 38 1HD PRO 38 -0.875 6.030 -11.144 260 HD3 PRO 38 2HD PRO 38 -1.373 5.427 -9.550 261 H SER 39 H SER 39 -2.158 5.179 -13.302 262 HA SER 39 HA SER 39 -4.142 5.122 -15.295 263 HB2 SER 39 1HB SER 39 -1.887 6.506 -15.058 264 HB3 SER 39 2HB SER 39 -1.262 5.209 -16.077 265 HG SER 39 HG SER 39 -2.428 5.908 -17.707 266 H VAL 40 H VAL 40 -1.198 3.148 -14.930 267 HA VAL 40 HA VAL 40 -1.824 1.437 -17.119 268 HB VAL 40 HB VAL 40 -0.020 -0.022 -16.197 269 HG11 VAL 40 1HG1 VAL 40 1.662 1.321 -16.998 270 HG12 VAL 40 2HG1 VAL 40 0.244 2.149 -17.646 271 HG13 VAL 40 3HG1 VAL 40 1.040 2.763 -16.197 272 HG21 VAL 40 1HG2 VAL 40 1.193 0.561 -14.261 273 HG22 VAL 40 2HG2 VAL 40 0.402 2.133 -14.143 274 HG23 VAL 40 3HG2 VAL 40 -0.507 0.661 -13.801 275 H LEU 41 H LEU 41 -2.673 1.484 -13.765 276 HA LEU 41 HA LEU 41 -3.308 -1.251 -13.437 277 HB2 LEU 41 1HB LEU 41 -4.038 1.272 -12.018 278 HB3 LEU 41 2HB LEU 41 -4.890 -0.221 -11.627 279 HG LEU 41 HG LEU 41 -1.893 -0.029 -11.507 280 HD11 LEU 41 1HD1 LEU 41 -2.311 1.584 -9.954 281 HD12 LEU 41 2HD1 LEU 41 -2.504 0.152 -8.944 282 HD13 LEU 41 3HD1 LEU 41 -3.925 0.975 -9.588 283 HD21 LEU 41 1HD2 LEU 41 -2.091 -1.933 -10.057 284 HD22 LEU 41 2HD2 LEU 41 -2.988 -2.257 -11.541 285 HD23 LEU 41 3HD2 LEU 41 -3.850 -1.813 -10.067 286 HA PRO 42 HA PRO 42 -7.132 -1.711 -15.543 287 HB2 PRO 42 1HB PRO 42 -8.406 -3.489 -13.935 288 HB3 PRO 42 2HB PRO 42 -7.043 -3.934 -14.970 289 HG2 PRO 42 1HG PRO 42 -7.075 -3.315 -12.041 290 HG3 PRO 42 2HG PRO 42 -6.220 -4.607 -12.902 291 HD2 PRO 42 1HD PRO 42 -4.993 -2.329 -12.102 292 HD3 PRO 42 2HD PRO 42 -4.516 -3.206 -13.570 293 H ASP 43 H ASP 43 -9.242 -0.984 -15.572 294 HA ASP 43 HA ASP 43 -9.941 1.052 -13.736 295 HB2 ASP 43 1HB ASP 43 -11.236 -0.243 -16.084 296 HB3 ASP 43 2HB ASP 43 -12.270 0.659 -14.980 297 H ASN 44 H ASN 44 -10.551 -2.348 -13.835 298 HA ASN 44 HA ASN 44 -12.456 -2.087 -11.604 299 HB2 ASN 44 1HB ASN 44 -13.370 -3.237 -13.582 300 HB3 ASN 44 2HB ASN 44 -12.064 -4.415 -13.498 301 HD21 ASN 44 1HD2 ASN 44 -12.491 -6.227 -12.476 302 HD22 ASN 44 2HD2 ASN 44 -13.735 -6.464 -11.301 303 H TRP 45 H TRP 45 -10.136 -1.707 -10.604 304 HA TRP 45 HA TRP 45 -8.768 -4.190 -9.975 305 HB2 TRP 45 1HB TRP 45 -7.511 -2.080 -10.416 306 HB3 TRP 45 2HB TRP 45 -8.213 -1.398 -8.952 307 HD1 TRP 45 HD TRP 45 -5.417 -3.609 -10.152 308 HE1 TRP 45 1HE TRP 45 -3.997 -4.369 -8.144 309 HE3 TRP 45 3HE TRP 45 -8.464 -2.036 -6.360 310 HZ2 TRP 45 2HZ TRP 45 -4.149 -4.310 -5.326 311 HZ3 TRP 45 3HZ TRP 45 -7.754 -2.427 -4.037 312 HH2 TRP 45 HH TRP 45 -5.640 -3.541 -3.533 313 H SER 46 H SER 46 -8.649 -5.134 -7.955 314 HA SER 46 HA SER 46 -10.314 -4.006 -5.822 315 HB2 SER 46 1HB SER 46 -11.087 -6.448 -5.404 316 HB3 SER 46 2HB SER 46 -11.859 -5.533 -6.700 317 HG SER 46 HG SER 46 -10.949 -7.812 -7.063 318 H CYS 47 H CYS 47 -10.055 -5.532 -3.794 319 HA CYS 47 HA CYS 47 -7.395 -5.340 -2.957 320 HB2 CYS 47 1HB CYS 47 -9.525 -7.140 -1.788 321 HB3 CYS 47 2HB CYS 47 -8.092 -6.533 -0.965 322 H ASP 48 H ASP 48 -9.131 -7.929 -4.516 323 HA ASP 48 HA ASP 48 -7.353 -10.039 -3.926 324 HB2 ASP 48 1HB ASP 48 -9.559 -10.533 -4.762 325 HB3 ASP 48 2HB ASP 48 -9.252 -9.627 -6.241 326 H GLN 49 H GLN 49 -7.062 -7.331 -5.975 327 HA GLN 49 HA GLN 49 -4.956 -8.588 -7.576 328 HB2 GLN 49 1HB GLN 49 -6.442 -5.979 -7.847 329 HB3 GLN 49 2HB GLN 49 -5.031 -6.370 -8.820 330 HG2 GLN 49 1HG GLN 49 -6.149 -8.234 -9.813 331 HG3 GLN 49 2HG GLN 49 -7.520 -8.054 -8.719 332 HE21 GLN 49 1HE2 GLN 49 -9.215 -7.264 -9.718 333 HE22 GLN 49 2HE2 GLN 49 -9.207 -6.051 -10.948 334 H ASN 50 H ASN 50 -4.669 -7.894 -4.717 335 HA ASN 50 HA ASN 50 -2.755 -5.692 -4.774 336 HB2 ASN 50 1HB ASN 50 -4.580 -6.201 -2.932 337 HB3 ASN 50 2HB ASN 50 -3.331 -7.270 -2.301 338 HD21 ASN 50 1HD2 ASN 50 -2.505 -6.280 -0.600 339 HD22 ASN 50 2HD2 ASN 50 -1.936 -4.649 -0.561 340 H THR 51 H THR 51 -0.613 -5.925 -3.934 341 HA THR 51 HA THR 51 0.555 -8.507 -4.616 342 HB THR 51 HB THR 51 2.718 -7.361 -4.508 343 HG1 THR 51 1HG THR 51 2.739 -5.102 -4.072 344 HG21 THR 51 1HG2 THR 51 1.767 -7.227 -6.644 345 HG22 THR 51 2HG2 THR 51 2.200 -5.558 -6.270 346 HG23 THR 51 3HG2 THR 51 0.525 -6.090 -6.119 347 H ASP 52 H ASP 52 -0.196 -6.596 -1.848 348 HA ASP 52 HA ASP 52 1.613 -8.065 -0.108 349 HB2 ASP 52 1HB ASP 52 1.091 -5.574 0.124 350 HB3 ASP 52 2HB ASP 52 -0.478 -6.070 0.752 351 H VAL 53 H VAL 53 1.013 -10.068 0.406 352 HA VAL 53 HA VAL 53 -1.545 -11.141 0.287 353 HB VAL 53 HB VAL 53 -0.715 -12.988 1.648 354 HG11 VAL 53 1HG1 VAL 53 1.613 -13.160 0.303 355 HG12 VAL 53 2HG1 VAL 53 0.035 -13.457 -0.428 356 HG13 VAL 53 3HG1 VAL 53 0.814 -11.885 -0.617 357 HG21 VAL 53 1HG2 VAL 53 0.484 -11.874 3.370 358 HG22 VAL 53 2HG2 VAL 53 1.651 -12.866 2.497 359 HG23 VAL 53 3HG2 VAL 53 1.585 -11.127 2.212 360 H GLN 54 H GLN 54 -0.052 -9.226 2.759 361 HA GLN 54 HA GLN 54 -1.712 -9.945 4.928 362 HB2 GLN 54 1HB GLN 54 -0.392 -7.267 4.481 363 HB3 GLN 54 2HB GLN 54 -0.880 -7.968 6.018 364 HG2 GLN 54 1HG GLN 54 0.780 -9.881 5.244 365 HG3 GLN 54 2HG GLN 54 1.481 -8.548 4.328 366 HE21 GLN 54 1HE2 GLN 54 1.445 -10.136 7.251 367 HE22 GLN 54 2HE2 GLN 54 2.240 -8.944 8.216 368 H TYR 55 H TYR 55 -2.221 -7.968 2.155 369 HA TYR 55 HA TYR 55 -4.937 -7.410 3.061 370 HB2 TYR 55 1HB TYR 55 -3.084 -5.249 2.036 371 HB3 TYR 55 2HB TYR 55 -4.797 -5.047 2.387 372 HD1 TYR 55 1HD TYR 55 -1.478 -5.639 3.885 373 HD2 TYR 55 2HD TYR 55 -5.570 -4.738 4.625 374 HE1 TYR 55 1HE TYR 55 -0.924 -5.064 6.212 375 HE2 TYR 55 2HE TYR 55 -5.028 -4.160 6.953 376 HH TYR 55 HH TYR 55 -3.163 -3.501 8.301 377 H ASN 56 H ASN 56 -4.477 -9.311 1.294 378 HA ASN 56 HA ASN 56 -4.925 -8.106 -1.355 379 HB2 ASN 56 1HB ASN 56 -3.938 -9.960 -2.359 380 HB3 ASN 56 2HB ASN 56 -2.966 -9.764 -0.903 381 HD21 ASN 56 1HD2 ASN 56 -3.441 -11.138 0.910 382 HD22 ASN 56 2HD2 ASN 56 -4.106 -12.710 0.643 383 H ARG 57 H ARG 57 -6.863 -8.646 0.892 384 HA ARG 57 HA ARG 57 -8.795 -10.172 -0.715 385 HB2 ARG 57 1HB ARG 57 -8.480 -10.363 2.286 386 HB3 ARG 57 2HB ARG 57 -9.703 -11.182 1.324 387 HG2 ARG 57 1HG ARG 57 -7.069 -11.764 0.323 388 HG3 ARG 57 2HG ARG 57 -7.190 -12.143 2.043 389 HD2 ARG 57 1HD ARG 57 -9.258 -13.428 1.558 390 HD3 ARG 57 2HD ARG 57 -8.996 -13.131 -0.160 391 HE ARG 57 HE ARG 57 -6.760 -14.359 1.172 392 HH11 ARG 57 1HH1 ARG 57 -9.768 -14.903 -0.494 393 HH12 ARG 57 2HH1 ARG 57 -9.361 -16.517 -0.975 394 HH21 ARG 57 1HH2 ARG 57 -6.212 -16.483 0.544 395 HH22 ARG 57 2HH2 ARG 57 -7.338 -17.415 -0.383 396 H CYS 58 H CYS 58 -11.022 -9.625 -0.332 397 HA CYS 58 HA CYS 58 -11.358 -6.804 0.201 398 HB2 CYS 58 1HB CYS 58 -13.169 -8.977 -0.825 399 HB3 CYS 58 2HB CYS 58 -13.801 -7.393 -0.390 400 H ASP 59 H ASP 59 -11.193 -9.401 2.156 401 HA ASP 59 HA ASP 59 -13.335 -8.531 3.961 402 HB2 ASP 59 1HB ASP 59 -12.932 -11.001 3.277 403 HB3 ASP 59 2HB ASP 59 -11.588 -10.935 4.414 404 H ILE 60 H ILE 60 -9.912 -8.521 3.559 405 HA ILE 60 HA ILE 60 -9.170 -8.183 6.277 406 HB ILE 60 HB ILE 60 -7.710 -7.338 3.771 407 HG12 ILE 60 1HG1 ILE 60 -7.095 -9.730 5.487 408 HG13 ILE 60 2HG1 ILE 60 -8.291 -9.826 4.199 409 HG21 ILE 60 1HG2 ILE 60 -5.713 -7.272 5.181 410 HG22 ILE 60 2HG2 ILE 60 -6.926 -6.115 5.728 411 HG23 ILE 60 3HG2 ILE 60 -6.701 -7.633 6.597 412 HD11 ILE 60 1HD1 ILE 60 -5.344 -9.509 4.034 413 HD12 ILE 60 2HD1 ILE 60 -6.427 -10.547 3.106 414 HD13 ILE 60 3HD1 ILE 60 -6.347 -8.820 2.759 415 HA PRO 61 HA PRO 61 -10.507 -4.006 6.871 416 HB2 PRO 61 1HB PRO 61 -9.171 -3.548 9.190 417 HB3 PRO 61 2HB PRO 61 -10.634 -4.537 9.103 418 HG2 PRO 61 1HG PRO 61 -7.768 -5.397 9.196 419 HG3 PRO 61 2HG PRO 61 -9.166 -6.067 10.057 420 HD2 PRO 61 1HD PRO 61 -8.142 -7.213 7.828 421 HD3 PRO 61 2HD PRO 61 -9.870 -7.280 8.228 422 H GLU 62 H GLU 62 -9.577 -1.845 7.131 423 HA GLU 62 HA GLU 62 -7.211 -1.540 5.527 424 HB2 GLU 62 1HB GLU 62 -9.029 0.448 6.888 425 HB3 GLU 62 2HB GLU 62 -7.628 0.921 5.938 426 HG2 GLU 62 1HG GLU 62 -8.565 0.052 3.949 427 HG3 GLU 62 2HG GLU 62 -9.848 -0.772 4.834 428 H GLU 63 H GLU 63 -5.349 -0.272 6.159 429 HA GLU 63 HA GLU 63 -4.115 -1.161 8.478 430 HB2 GLU 63 1HB GLU 63 -3.224 0.103 6.307 431 HB3 GLU 63 2HB GLU 63 -3.301 1.487 7.389 432 HG2 GLU 63 1HG GLU 63 -1.805 -1.060 7.962 433 HG3 GLU 63 2HG GLU 63 -1.084 0.417 7.325 434 H THR 64 H THR 64 -4.850 -0.826 10.474 435 HA THR 64 HA THR 64 -6.368 1.442 11.255 436 HB THR 64 HB THR 64 -5.729 0.523 13.634 437 HG1 THR 64 1HG THR 64 -4.456 -1.156 13.565 438 HG21 THR 64 1HG2 THR 64 -7.921 0.145 13.156 439 HG22 THR 64 2HG2 THR 64 -7.347 -1.516 13.013 440 HG23 THR 64 3HG2 THR 64 -7.570 -0.533 11.567 441 H TRP 65 H TRP 65 -5.773 3.337 12.131 442 HA TRP 65 HA TRP 65 -2.994 4.061 12.099 443 HB2 TRP 65 1HB TRP 65 -5.155 5.496 11.576 444 HB3 TRP 65 2HB TRP 65 -5.075 5.834 13.303 445 HD1 TRP 65 HD TRP 65 -2.236 5.697 10.649 446 HE1 TRP 65 1HE TRP 65 -0.916 7.901 10.797 447 HE3 TRP 65 3HE TRP 65 -4.992 8.052 14.254 448 HZ2 TRP 65 2HZ TRP 65 -1.027 10.318 12.250 449 HZ3 TRP 65 3HZ TRP 65 -4.317 10.309 14.967 450 HH2 TRP 65 HH TRP 65 -2.376 11.416 13.985 451 H THR 66 H THR 66 -1.602 4.052 13.740 452 HA THR 66 HA THR 66 -2.663 3.874 16.483 453 HB THR 66 HB THR 66 -0.697 2.426 17.042 454 HG1 THR 66 1HG THR 66 0.706 2.703 15.377 455 HG21 THR 66 1HG2 THR 66 -2.218 0.806 16.891 456 HG22 THR 66 2HG2 THR 66 -1.831 0.622 15.180 457 HG23 THR 66 3HG2 THR 66 -3.109 1.728 15.681 458 H GLY 67 H GLY 67 0.108 4.740 14.445 459 HA2 GLY 67 1HA GLY 67 0.862 7.110 14.932 460 HA3 GLY 67 2HA GLY 67 1.015 6.553 16.592 461 H LEU 68 H LEU 68 2.609 6.994 13.676 462 HA LEU 68 HA LEU 68 4.920 5.493 14.683 463 HB2 LEU 68 1HB LEU 68 5.436 4.617 12.523 464 HB3 LEU 68 2HB LEU 68 3.777 4.176 12.922 465 HG LEU 68 HG LEU 68 3.256 6.360 11.503 466 HD11 LEU 68 1HD1 LEU 68 6.046 5.651 10.848 467 HD12 LEU 68 2HD1 LEU 68 5.211 7.200 10.746 468 HD13 LEU 68 3HD1 LEU 68 4.977 5.989 9.486 469 HD21 LEU 68 1HD2 LEU 68 2.605 4.956 9.781 470 HD22 LEU 68 2HD2 LEU 68 2.677 3.858 11.160 471 HD23 LEU 68 3HD2 LEU 68 3.994 3.889 9.987 472 H GLU 69 H GLU 69 6.956 6.142 13.465 473 HA GLU 69 HA GLU 69 6.847 8.981 12.698 474 HB2 GLU 69 1HB GLU 69 9.061 9.255 13.849 475 HB3 GLU 69 2HB GLU 69 7.703 8.969 14.928 476 HG2 GLU 69 1HG GLU 69 9.448 7.651 15.757 477 HG3 GLU 69 2HG GLU 69 8.380 6.532 14.914 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.747 20.166 4.142 2 HA2 GLY 1 1HA GLY 1 -0.931 20.785 1.789 3 HA3 GLY 1 2HA GLY 1 -1.232 22.431 2.328 4 H SER 2 H SER 2 0.644 23.403 2.688 5 HA SER 2 HA SER 2 2.845 21.855 3.861 6 HB2 SER 2 1HB SER 2 3.027 23.272 1.665 7 HB3 SER 2 2HB SER 2 3.167 24.635 2.776 8 HG SER 2 HG SER 2 5.072 23.929 3.434 9 H SER 3 H SER 3 3.497 22.202 5.882 10 HA SER 3 HA SER 3 2.156 24.244 7.454 11 HB2 SER 3 1HB SER 3 4.047 22.017 8.248 12 HB3 SER 3 2HB SER 3 3.274 23.123 9.384 13 HG SER 3 HG SER 3 1.250 22.345 8.610 14 H GLY 4 H GLY 4 5.363 23.484 6.252 15 HA2 GLY 4 1HA GLY 4 6.269 26.106 7.261 16 HA3 GLY 4 2HA GLY 4 7.294 24.683 7.371 17 H SER 5 H SER 5 8.642 24.264 5.738 18 HA SER 5 HA SER 5 8.053 25.214 3.056 19 HB2 SER 5 1HB SER 5 9.158 27.166 3.818 20 HB3 SER 5 2HB SER 5 10.366 26.234 4.702 21 HG SER 5 HG SER 5 11.291 26.957 2.806 22 H SER 6 H SER 6 8.235 23.332 2.016 23 HA SER 6 HA SER 6 10.731 21.809 2.366 24 HB2 SER 6 1HB SER 6 8.953 20.545 3.428 25 HB3 SER 6 2HB SER 6 7.939 20.700 1.994 26 HG SER 6 HG SER 6 9.669 18.798 2.525 27 H GLY 7 H GLY 7 11.730 21.105 0.532 28 HA2 GLY 7 1HA GLY 7 10.594 22.091 -1.993 29 HA3 GLY 7 2HA GLY 7 12.292 21.743 -1.701 30 H GLU 8 H GLU 8 13.077 19.850 -2.381 31 HA GLU 8 HA GLU 8 11.176 17.913 -3.478 32 HB2 GLU 8 1HB GLU 8 13.037 18.827 -4.898 33 HB3 GLU 8 2HB GLU 8 14.173 18.000 -3.842 34 HG2 GLU 8 1HG GLU 8 13.257 15.860 -4.456 35 HG3 GLU 8 2HG GLU 8 12.000 16.637 -5.415 36 H ILE 9 H ILE 9 10.783 16.040 -2.504 37 HA ILE 9 HA ILE 9 12.454 15.275 -0.221 38 HB ILE 9 HB ILE 9 10.612 13.801 0.430 39 HG12 ILE 9 1HG1 ILE 9 8.588 14.837 -1.353 40 HG13 ILE 9 2HG1 ILE 9 9.867 14.048 -2.269 41 HG21 ILE 9 1HG2 ILE 9 8.912 15.575 0.879 42 HG22 ILE 9 2HG2 ILE 9 10.561 16.016 1.318 43 HG23 ILE 9 3HG2 ILE 9 9.843 16.652 -0.162 44 HD11 ILE 9 1HD1 ILE 9 9.345 12.317 -0.166 45 HD12 ILE 9 2HD1 ILE 9 7.761 12.897 -0.680 46 HD13 ILE 9 3HD1 ILE 9 8.842 12.134 -1.846 47 H SER 10 H SER 10 11.743 14.384 -3.442 48 HA SER 10 HA SER 10 12.184 11.610 -3.346 49 HB2 SER 10 1HB SER 10 12.525 11.741 -5.741 50 HB3 SER 10 2HB SER 10 11.224 12.845 -5.295 51 HG SER 10 HG SER 10 13.289 13.466 -6.685 52 H GLY 11 H GLY 11 14.043 10.384 -3.955 53 HA2 GLY 11 1HA GLY 11 16.395 10.268 -4.487 54 HA3 GLY 11 2HA GLY 11 16.607 11.812 -3.675 55 H PHE 12 H PHE 12 15.154 11.270 -1.327 56 HA PHE 12 HA PHE 12 16.740 9.099 -0.125 57 HB2 PHE 12 1HB PHE 12 16.273 11.902 0.846 58 HB3 PHE 12 2HB PHE 12 16.612 10.608 1.991 59 HD1 PHE 12 1HD PHE 12 18.765 9.360 1.823 60 HD2 PHE 12 2HD PHE 12 17.986 12.883 -0.436 61 HE1 PHE 12 1HE PHE 12 21.177 9.629 1.415 62 HE2 PHE 12 2HE PHE 12 20.396 13.157 -0.847 63 HZ PHE 12 HZ PHE 12 21.995 11.528 0.078 64 H GLY 13 H GLY 13 14.864 7.755 -0.457 65 HA2 GLY 13 1HA GLY 13 13.325 7.279 1.751 66 HA3 GLY 13 2HA GLY 13 12.372 8.415 0.808 67 H GLN 14 H GLN 14 10.975 6.354 1.028 68 HA GLN 14 HA GLN 14 11.506 4.640 -1.309 69 HB2 GLN 14 1HB GLN 14 9.965 3.877 1.176 70 HB3 GLN 14 2HB GLN 14 10.344 2.830 -0.185 71 HG2 GLN 14 1HG GLN 14 12.405 4.096 1.602 72 HG3 GLN 14 2HG GLN 14 11.767 2.467 1.812 73 HE21 GLN 14 1HE2 GLN 14 14.141 4.332 0.383 74 HE22 GLN 14 2HE2 GLN 14 14.764 3.163 -0.726 75 H CYS 15 H CYS 15 9.929 4.420 -2.805 76 HA CYS 15 HA CYS 15 7.898 6.315 -3.012 77 HB2 CYS 15 1HB CYS 15 8.316 3.660 -4.376 78 HB3 CYS 15 2HB CYS 15 6.964 4.712 -4.777 79 HG CYS 15 HG CYS 15 8.684 5.240 -6.780 80 H LEU 16 H LEU 16 5.524 5.751 -3.290 81 HA LEU 16 HA LEU 16 4.447 3.585 -1.778 82 HB2 LEU 16 1HB LEU 16 5.250 5.196 -0.014 83 HB3 LEU 16 2HB LEU 16 4.044 6.332 -0.615 84 HG LEU 16 HG LEU 16 2.272 4.721 -0.023 85 HD11 LEU 16 1HD1 LEU 16 4.520 3.137 1.212 86 HD12 LEU 16 2HD1 LEU 16 3.595 2.671 -0.215 87 HD13 LEU 16 3HD1 LEU 16 2.797 2.788 1.354 88 HD21 LEU 16 1HD2 LEU 16 3.419 6.491 1.564 89 HD22 LEU 16 2HD2 LEU 16 3.878 5.043 2.459 90 HD23 LEU 16 3HD2 LEU 16 2.175 5.391 2.158 91 H VAL 17 H VAL 17 2.695 3.068 -2.891 92 HA VAL 17 HA VAL 17 0.964 5.230 -3.893 93 HB VAL 17 HB VAL 17 0.479 3.874 -5.899 94 HG11 VAL 17 1HG1 VAL 17 2.251 4.689 -7.099 95 HG12 VAL 17 2HG1 VAL 17 2.432 5.614 -5.607 96 HG13 VAL 17 3HG1 VAL 17 3.439 4.194 -5.893 97 HG21 VAL 17 1HG2 VAL 17 0.991 1.708 -5.858 98 HG22 VAL 17 2HG2 VAL 17 2.678 2.173 -6.078 99 HG23 VAL 17 3HG2 VAL 17 2.039 1.919 -4.455 100 H TRP 18 H TRP 18 -1.181 4.960 -3.583 101 HA TRP 18 HA TRP 18 -2.040 2.430 -2.340 102 HB2 TRP 18 1HB TRP 18 -3.089 5.238 -1.930 103 HB3 TRP 18 2HB TRP 18 -3.828 3.791 -1.248 104 HD1 TRP 18 HD TRP 18 -0.853 6.126 -0.808 105 HE1 TRP 18 1HE TRP 18 0.305 5.588 1.426 106 HE3 TRP 18 3HE TRP 18 -3.381 1.852 0.409 107 HZ2 TRP 18 2HZ TRP 18 0.166 3.613 3.439 108 HZ3 TRP 18 3HZ TRP 18 -2.808 0.699 2.506 109 HH2 TRP 18 HH TRP 18 -1.070 1.563 3.988 110 H VAL 19 H VAL 19 -4.077 1.579 -2.892 111 HA VAL 19 HA VAL 19 -5.366 2.752 -5.260 112 HB VAL 19 HB VAL 19 -5.731 0.386 -6.091 113 HG11 VAL 19 1HG1 VAL 19 -2.841 1.226 -6.035 114 HG12 VAL 19 2HG1 VAL 19 -3.694 0.350 -7.308 115 HG13 VAL 19 3HG1 VAL 19 -4.068 2.046 -7.000 116 HG21 VAL 19 1HG2 VAL 19 -5.163 -0.782 -4.025 117 HG22 VAL 19 2HG2 VAL 19 -4.131 -1.313 -5.352 118 HG23 VAL 19 3HG2 VAL 19 -3.504 -0.196 -4.140 119 H GLN 20 H GLN 20 -7.508 2.904 -5.083 120 HA GLN 20 HA GLN 20 -8.804 1.763 -2.748 121 HB2 GLN 20 1HB GLN 20 -9.097 4.171 -3.639 122 HB3 GLN 20 2HB GLN 20 -10.160 3.445 -4.837 123 HG2 GLN 20 1HG GLN 20 -11.413 2.430 -2.868 124 HG3 GLN 20 2HG GLN 20 -10.500 3.553 -1.862 125 HE21 GLN 20 1HE2 GLN 20 -12.404 4.601 -1.244 126 HE22 GLN 20 2HE2 GLN 20 -13.238 5.674 -2.310 127 H CYS 21 H CYS 21 -10.061 0.016 -2.761 128 HA CYS 21 HA CYS 21 -10.225 -1.759 -4.864 129 HB2 CYS 21 1HB CYS 21 -10.765 -2.183 -2.420 130 HB3 CYS 21 2HB CYS 21 -12.354 -1.495 -2.741 131 H SER 22 H SER 22 -12.000 -2.418 -6.211 132 HA SER 22 HA SER 22 -13.332 -0.165 -7.409 133 HB2 SER 22 1HB SER 22 -12.940 -1.515 -9.170 134 HB3 SER 22 2HB SER 22 -12.734 -2.931 -8.139 135 HG SER 22 HG SER 22 -14.542 -3.191 -9.469 136 H PHE 23 H PHE 23 -14.201 -2.857 -5.352 137 HA PHE 23 HA PHE 23 -17.017 -2.609 -5.647 138 HB2 PHE 23 1HB PHE 23 -15.361 -3.854 -3.444 139 HB3 PHE 23 2HB PHE 23 -17.109 -4.007 -3.584 140 HD1 PHE 23 1HD PHE 23 -17.905 -4.848 -5.986 141 HD2 PHE 23 2HD PHE 23 -14.079 -5.562 -4.265 142 HE1 PHE 23 1HE PHE 23 -17.617 -6.805 -7.448 143 HE2 PHE 23 2HE PHE 23 -13.784 -7.520 -5.725 144 HZ PHE 23 HZ PHE 23 -15.554 -8.144 -7.320 145 HA PRO 24 HA PRO 24 -17.830 0.917 -3.141 146 HB2 PRO 24 1HB PRO 24 -20.413 0.394 -2.491 147 HB3 PRO 24 2HB PRO 24 -19.917 0.929 -4.101 148 HG2 PRO 24 1HG PRO 24 -20.525 -1.836 -3.127 149 HG3 PRO 24 2HG PRO 24 -20.997 -1.056 -4.648 150 HD2 PRO 24 1HD PRO 24 -18.929 -2.796 -4.484 151 HD3 PRO 24 2HD PRO 24 -18.946 -1.438 -5.627 152 H ASN 25 H ASN 25 -19.110 -2.146 -1.828 153 HA ASN 25 HA ASN 25 -19.270 -1.372 0.839 154 HB2 ASN 25 1HB ASN 25 -19.103 -3.826 1.342 155 HB3 ASN 25 2HB ASN 25 -20.307 -3.418 0.123 156 HD21 ASN 25 1HD2 ASN 25 -20.361 -4.854 -1.430 157 HD22 ASN 25 2HD2 ASN 25 -19.002 -5.674 -2.114 158 H CYS 26 H CYS 26 -16.518 -2.174 -1.089 159 HA CYS 26 HA CYS 26 -14.776 -2.600 1.189 160 HB2 CYS 26 1HB CYS 26 -14.648 -3.046 -1.680 161 HB3 CYS 26 2HB CYS 26 -13.181 -2.283 -1.076 162 H GLY 27 H GLY 27 -14.272 -0.490 -1.629 163 HA2 GLY 27 1HA GLY 27 -13.351 1.610 -1.779 164 HA3 GLY 27 2HA GLY 27 -14.380 1.980 -0.403 165 H LYS 28 H LYS 28 -11.866 -0.424 -0.196 166 HA LYS 28 HA LYS 28 -10.511 1.226 1.798 167 HB2 LYS 28 1HB LYS 28 -10.179 -1.694 1.085 168 HB3 LYS 28 2HB LYS 28 -9.315 -0.868 2.376 169 HG2 LYS 28 1HG LYS 28 -11.461 -0.401 3.484 170 HG3 LYS 28 2HG LYS 28 -12.292 -1.297 2.210 171 HD2 LYS 28 1HD LYS 28 -11.058 -3.315 2.816 172 HD3 LYS 28 2HD LYS 28 -10.198 -2.422 4.072 173 HE2 LYS 28 1HE LYS 28 -12.087 -3.776 4.938 174 HE3 LYS 28 2HE LYS 28 -12.242 -2.054 5.283 175 HZ1 LYS 28 1HZ LYS 28 -13.493 -3.105 2.851 176 HZ2 LYS 28 2HZ LYS 28 -13.979 -1.826 3.846 177 HZ3 LYS 28 3HZ LYS 28 -14.240 -3.424 4.335 178 H TRP 29 H TRP 29 -8.293 1.665 1.738 179 HA TRP 29 HA TRP 29 -7.169 1.679 -0.964 180 HB2 TRP 29 1HB TRP 29 -6.475 3.212 1.543 181 HB3 TRP 29 2HB TRP 29 -5.491 3.270 0.083 182 HD1 TRP 29 HD TRP 29 -8.746 4.561 1.551 183 HE1 TRP 29 1HE TRP 29 -9.749 6.315 -0.043 184 HE3 TRP 29 3HE TRP 29 -5.627 3.904 -2.446 185 HZ2 TRP 29 2HZ TRP 29 -9.280 7.291 -2.650 186 HZ3 TRP 29 3HZ TRP 29 -5.972 5.287 -4.452 187 HH2 TRP 29 HH TRP 29 -7.762 6.945 -4.550 188 H ARG 30 H ARG 30 -6.216 -0.265 -1.309 189 HA ARG 30 HA ARG 30 -4.671 -1.593 0.717 190 HB2 ARG 30 1HB ARG 30 -4.868 -2.195 -2.240 191 HB3 ARG 30 2HB ARG 30 -4.226 -3.265 -1.001 192 HG2 ARG 30 1HG ARG 30 -7.053 -2.265 -0.923 193 HG3 ARG 30 2HG ARG 30 -6.588 -3.709 -1.825 194 HD2 ARG 30 1HD ARG 30 -7.085 -4.719 0.139 195 HD3 ARG 30 2HD ARG 30 -5.421 -4.272 0.512 196 HE ARG 30 HE ARG 30 -6.795 -2.125 1.361 197 HH11 ARG 30 1HH1 ARG 30 -7.217 -5.539 1.897 198 HH12 ARG 30 2HH1 ARG 30 -7.914 -5.339 3.470 199 HH21 ARG 30 1HH2 ARG 30 -7.712 -1.848 3.431 200 HH22 ARG 30 2HH2 ARG 30 -8.196 -3.239 4.341 201 H ARG 31 H ARG 31 -2.462 -1.816 0.846 202 HA ARG 31 HA ARG 31 -0.917 0.315 -0.331 203 HB2 ARG 31 1HB ARG 31 -0.529 -0.315 1.991 204 HB3 ARG 31 2HB ARG 31 -0.115 -1.952 1.501 205 HG2 ARG 31 1HG ARG 31 1.855 -1.149 0.353 206 HG3 ARG 31 2HG ARG 31 1.421 0.519 0.730 207 HD2 ARG 31 1HD ARG 31 2.942 0.077 2.393 208 HD3 ARG 31 2HD ARG 31 1.432 -0.352 3.196 209 HE ARG 31 HE ARG 31 2.458 -2.635 1.939 210 HH11 ARG 31 1HH1 ARG 31 3.195 -0.490 4.580 211 HH12 ARG 31 2HH1 ARG 31 4.019 -1.701 5.506 212 HH21 ARG 31 1HH2 ARG 31 3.540 -4.238 3.148 213 HH22 ARG 31 2HH2 ARG 31 4.215 -3.833 4.689 214 H LEU 32 H LEU 32 0.673 0.159 -1.855 215 HA LEU 32 HA LEU 32 1.032 -2.475 -3.127 216 HB2 LEU 32 1HB LEU 32 0.623 0.232 -4.343 217 HB3 LEU 32 2HB LEU 32 1.460 -1.040 -5.231 218 HG LEU 32 HG LEU 32 -1.379 -1.168 -4.213 219 HD11 LEU 32 1HD1 LEU 32 -0.341 -0.952 -7.034 220 HD12 LEU 32 2HD1 LEU 32 -1.030 0.380 -6.107 221 HD13 LEU 32 3HD1 LEU 32 -2.029 -1.011 -6.526 222 HD21 LEU 32 1HD2 LEU 32 0.461 -3.168 -5.396 223 HD22 LEU 32 2HD2 LEU 32 -1.212 -3.175 -5.954 224 HD23 LEU 32 3HD2 LEU 32 -0.853 -3.378 -4.239 225 H CYS 33 H CYS 33 3.046 -2.364 -4.652 226 HA CYS 33 HA CYS 33 5.289 -1.781 -2.963 227 HB2 CYS 33 1HB CYS 33 5.166 -2.784 -5.815 228 HB3 CYS 33 2HB CYS 33 6.629 -2.699 -4.841 229 HG CYS 33 HG CYS 33 4.994 -5.286 -5.195 230 H GLY 34 H GLY 34 7.295 -0.899 -4.484 231 HA2 GLY 34 1HA GLY 34 6.528 1.876 -4.959 232 HA3 GLY 34 2HA GLY 34 8.167 1.260 -4.809 233 H ASN 35 H ASN 35 7.275 -0.942 -6.769 234 HA ASN 35 HA ASN 35 7.940 0.603 -9.160 235 HB2 ASN 35 1HB ASN 35 8.357 -1.649 -10.176 236 HB3 ASN 35 2HB ASN 35 9.364 -1.300 -8.774 237 HD21 ASN 35 1HD2 ASN 35 8.963 -2.374 -6.829 238 HD22 ASN 35 2HD2 ASN 35 8.041 -3.834 -6.772 239 H ILE 36 H ILE 36 5.297 0.823 -8.116 240 HA ILE 36 HA ILE 36 3.809 -0.224 -10.417 241 HB ILE 36 HB ILE 36 2.799 -0.322 -7.572 242 HG12 ILE 36 1HG1 ILE 36 3.418 -2.604 -9.456 243 HG13 ILE 36 2HG1 ILE 36 4.502 -2.060 -8.180 244 HG21 ILE 36 1HG2 ILE 36 1.489 -0.541 -10.194 245 HG22 ILE 36 2HG2 ILE 36 1.060 -1.792 -9.029 246 HG23 ILE 36 3HG2 ILE 36 0.823 -0.092 -8.625 247 HD11 ILE 36 1HD1 ILE 36 2.465 -3.958 -7.997 248 HD12 ILE 36 2HD1 ILE 36 3.429 -3.282 -6.684 249 HD13 ILE 36 3HD1 ILE 36 1.885 -2.546 -7.114 250 H ASP 37 H ASP 37 2.201 1.100 -11.192 251 HA ASP 37 HA ASP 37 1.746 3.636 -9.776 252 HB2 ASP 37 1HB ASP 37 3.221 3.354 -12.157 253 HB3 ASP 37 2HB ASP 37 1.662 4.022 -12.632 254 HA PRO 38 HA PRO 38 -2.518 2.880 -10.511 255 HB2 PRO 38 1HB PRO 38 -3.463 5.425 -10.512 256 HB3 PRO 38 2HB PRO 38 -2.935 4.597 -9.042 257 HG2 PRO 38 1HG PRO 38 -1.460 6.578 -10.735 258 HG3 PRO 38 2HG PRO 38 -1.561 6.472 -8.968 259 HD2 PRO 38 1HD PRO 38 0.576 5.565 -10.362 260 HD3 PRO 38 2HD PRO 38 0.031 4.809 -8.851 261 H SER 39 H SER 39 -0.694 4.948 -12.638 262 HA SER 39 HA SER 39 -2.721 5.355 -14.589 263 HB2 SER 39 1HB SER 39 -0.965 6.901 -14.708 264 HB3 SER 39 2HB SER 39 0.271 5.650 -14.575 265 HG SER 39 HG SER 39 -0.071 5.082 -16.668 266 H VAL 40 H VAL 40 -0.465 2.796 -13.937 267 HA VAL 40 HA VAL 40 -1.161 1.475 -16.468 268 HB VAL 40 HB VAL 40 0.710 -0.046 -16.017 269 HG11 VAL 40 1HG1 VAL 40 1.598 1.569 -17.315 270 HG12 VAL 40 2HG1 VAL 40 1.029 2.872 -16.270 271 HG13 VAL 40 3HG1 VAL 40 2.488 1.975 -15.848 272 HG21 VAL 40 1HG2 VAL 40 2.196 0.266 -14.157 273 HG22 VAL 40 2HG2 VAL 40 1.295 1.683 -13.616 274 HG23 VAL 40 3HG2 VAL 40 0.555 0.085 -13.536 275 H LEU 41 H LEU 41 -2.900 1.669 -14.067 276 HA LEU 41 HA LEU 41 -3.173 -1.210 -13.500 277 HB2 LEU 41 1HB LEU 41 -3.554 1.200 -11.790 278 HB3 LEU 41 2HB LEU 41 -4.546 -0.225 -11.487 279 HG LEU 41 HG LEU 41 -1.563 -0.459 -11.603 280 HD11 LEU 41 1HD1 LEU 41 -3.157 0.930 -9.567 281 HD12 LEU 41 2HD1 LEU 41 -1.433 1.024 -9.925 282 HD13 LEU 41 3HD1 LEU 41 -2.058 -0.302 -8.945 283 HD21 LEU 41 1HD2 LEU 41 -2.497 -2.562 -11.490 284 HD22 LEU 41 2HD2 LEU 41 -3.859 -2.023 -10.507 285 HD23 LEU 41 3HD2 LEU 41 -2.259 -2.192 -9.782 286 HA PRO 42 HA PRO 42 -7.157 -1.157 -15.344 287 HB2 PRO 42 1HB PRO 42 -8.448 -3.013 -13.840 288 HB3 PRO 42 2HB PRO 42 -7.202 -3.432 -15.022 289 HG2 PRO 42 1HG PRO 42 -6.977 -3.147 -12.050 290 HG3 PRO 42 2HG PRO 42 -6.288 -4.391 -13.110 291 HD2 PRO 42 1HD PRO 42 -4.833 -2.309 -12.170 292 HD3 PRO 42 2HD PRO 42 -4.532 -3.045 -13.757 293 H ASP 43 H ASP 43 -9.443 -0.736 -14.939 294 HA ASP 43 HA ASP 43 -9.779 1.239 -12.843 295 HB2 ASP 43 1HB ASP 43 -11.479 0.367 -15.175 296 HB3 ASP 43 2HB ASP 43 -12.077 1.484 -13.952 297 H ASN 44 H ASN 44 -10.716 -2.030 -13.518 298 HA ASN 44 HA ASN 44 -12.665 -2.030 -11.337 299 HB2 ASN 44 1HB ASN 44 -12.952 -3.173 -13.686 300 HB3 ASN 44 2HB ASN 44 -12.000 -4.462 -12.955 301 HD21 ASN 44 1HD2 ASN 44 -15.055 -3.335 -13.476 302 HD22 ASN 44 2HD2 ASN 44 -15.893 -4.214 -12.247 303 H TRP 45 H TRP 45 -9.766 -1.760 -10.893 304 HA TRP 45 HA TRP 45 -8.634 -4.163 -9.981 305 HB2 TRP 45 1HB TRP 45 -7.382 -2.040 -10.391 306 HB3 TRP 45 2HB TRP 45 -8.096 -1.381 -8.921 307 HD1 TRP 45 HD TRP 45 -5.291 -3.577 -10.134 308 HE1 TRP 45 1HE TRP 45 -3.879 -4.357 -8.127 309 HE3 TRP 45 3HE TRP 45 -8.355 -2.042 -6.341 310 HZ2 TRP 45 2HZ TRP 45 -4.044 -4.326 -5.310 311 HZ3 TRP 45 3HZ TRP 45 -7.655 -2.455 -4.018 312 HH2 TRP 45 HH TRP 45 -5.544 -3.574 -3.515 313 H SER 46 H SER 46 -8.551 -5.134 -7.976 314 HA SER 46 HA SER 46 -10.248 -4.026 -5.856 315 HB2 SER 46 1HB SER 46 -10.982 -6.494 -5.465 316 HB3 SER 46 2HB SER 46 -11.767 -5.566 -6.743 317 HG SER 46 HG SER 46 -9.486 -7.123 -7.294 318 H CYS 47 H CYS 47 -9.994 -5.517 -3.820 319 HA CYS 47 HA CYS 47 -7.344 -5.315 -2.958 320 HB2 CYS 47 1HB CYS 47 -9.475 -7.117 -1.794 321 HB3 CYS 47 2HB CYS 47 -8.058 -6.485 -0.962 322 H ASP 48 H ASP 48 -9.054 -7.917 -4.522 323 HA ASP 48 HA ASP 48 -7.273 -10.017 -3.895 324 HB2 ASP 48 1HB ASP 48 -9.454 -10.558 -4.732 325 HB3 ASP 48 2HB ASP 48 -9.185 -9.624 -6.201 326 H GLN 49 H GLN 49 -6.974 -7.323 -5.956 327 HA GLN 49 HA GLN 49 -4.868 -8.586 -7.550 328 HB2 GLN 49 1HB GLN 49 -6.356 -5.980 -7.816 329 HB3 GLN 49 2HB GLN 49 -4.925 -6.344 -8.771 330 HG2 GLN 49 1HG GLN 49 -6.011 -8.220 -9.793 331 HG3 GLN 49 2HG GLN 49 -7.407 -8.042 -8.731 332 HE21 GLN 49 1HE2 GLN 49 -9.082 -7.193 -9.712 333 HE22 GLN 49 2HE2 GLN 49 -9.044 -5.999 -10.960 334 H ASN 50 H ASN 50 -4.600 -7.884 -4.682 335 HA ASN 50 HA ASN 50 -2.665 -5.702 -4.729 336 HB2 ASN 50 1HB ASN 50 -4.500 -6.208 -2.894 337 HB3 ASN 50 2HB ASN 50 -3.255 -7.281 -2.261 338 HD21 ASN 50 1HD2 ASN 50 -2.400 -6.304 -0.571 339 HD22 ASN 50 2HD2 ASN 50 -1.840 -4.670 -0.523 340 H THR 51 H THR 51 -0.527 -5.950 -3.884 341 HA THR 51 HA THR 51 0.627 -8.536 -4.570 342 HB THR 51 HB THR 51 2.793 -7.412 -4.469 343 HG1 THR 51 1HG THR 51 1.491 -4.956 -3.963 344 HG21 THR 51 1HG2 THR 51 1.215 -7.214 -6.482 345 HG22 THR 51 2HG2 THR 51 2.563 -6.079 -6.389 346 HG23 THR 51 3HG2 THR 51 0.939 -5.559 -5.940 347 H ASP 52 H ASP 52 -0.122 -6.632 -1.797 348 HA ASP 52 HA ASP 52 1.665 -8.132 -0.057 349 HB2 ASP 52 1HB ASP 52 1.172 -5.628 0.174 350 HB3 ASP 52 2HB ASP 52 -0.395 -6.112 0.817 351 H VAL 53 H VAL 53 1.037 -10.116 0.483 352 HA VAL 53 HA VAL 53 -1.536 -11.155 0.341 353 HB VAL 53 HB VAL 53 -0.743 -13.011 1.711 354 HG11 VAL 53 1HG1 VAL 53 0.028 -13.503 -0.349 355 HG12 VAL 53 2HG1 VAL 53 0.812 -11.935 -0.546 356 HG13 VAL 53 3HG1 VAL 53 1.602 -13.206 0.388 357 HG21 VAL 53 1HG2 VAL 53 0.463 -12.034 3.459 358 HG22 VAL 53 2HG2 VAL 53 1.693 -12.861 2.504 359 HG23 VAL 53 3HG2 VAL 53 1.491 -11.115 2.360 360 H GLN 54 H GLN 54 -0.046 -9.235 2.805 361 HA GLN 54 HA GLN 54 -1.729 -9.929 4.969 362 HB2 GLN 54 1HB GLN 54 -0.364 -7.273 4.520 363 HB3 GLN 54 2HB GLN 54 -0.879 -7.957 6.056 364 HG2 GLN 54 1HG GLN 54 0.762 -9.902 5.281 365 HG3 GLN 54 2HG GLN 54 1.500 -8.559 4.408 366 HE21 GLN 54 1HE2 GLN 54 3.009 -9.732 6.242 367 HE22 GLN 54 2HE2 GLN 54 3.165 -8.755 7.657 368 H TYR 55 H TYR 55 -2.193 -7.967 2.181 369 HA TYR 55 HA TYR 55 -4.904 -7.357 3.069 370 HB2 TYR 55 1HB TYR 55 -2.998 -5.243 2.045 371 HB3 TYR 55 2HB TYR 55 -4.715 -5.003 2.348 372 HD1 TYR 55 1HD TYR 55 -1.452 -5.654 3.947 373 HD2 TYR 55 2HD TYR 55 -5.536 -4.628 4.554 374 HE1 TYR 55 1HE TYR 55 -0.949 -5.055 6.279 375 HE2 TYR 55 2HE TYR 55 -5.044 -4.025 6.887 376 HH TYR 55 HH TYR 55 -3.067 -4.827 8.616 377 H ASN 56 H ASN 56 -4.472 -9.285 1.327 378 HA ASN 56 HA ASN 56 -4.900 -8.101 -1.335 379 HB2 ASN 56 1HB ASN 56 -3.924 -9.971 -2.323 380 HB3 ASN 56 2HB ASN 56 -2.953 -9.770 -0.867 381 HD21 ASN 56 1HD2 ASN 56 -3.445 -11.123 0.959 382 HD22 ASN 56 2HD2 ASN 56 -4.120 -12.693 0.703 383 H ARG 57 H ARG 57 -6.844 -8.606 0.913 384 HA ARG 57 HA ARG 57 -8.778 -10.150 -0.675 385 HB2 ARG 57 1HB ARG 57 -8.464 -10.267 2.330 386 HB3 ARG 57 2HB ARG 57 -9.714 -11.081 1.399 387 HG2 ARG 57 1HG ARG 57 -7.073 -11.731 0.422 388 HG3 ARG 57 2HG ARG 57 -7.252 -12.110 2.136 389 HD2 ARG 57 1HD ARG 57 -9.343 -13.333 1.590 390 HD3 ARG 57 2HD ARG 57 -9.023 -13.041 -0.119 391 HE ARG 57 HE ARG 57 -6.856 -14.330 1.259 392 HH11 ARG 57 1HH1 ARG 57 -9.858 -14.806 -0.438 393 HH12 ARG 57 2HH1 ARG 57 -9.491 -16.436 -0.897 394 HH21 ARG 57 1HH2 ARG 57 -6.361 -16.475 0.661 395 HH22 ARG 57 2HH2 ARG 57 -7.502 -17.384 -0.271 396 H CYS 58 H CYS 58 -11.012 -9.590 -0.295 397 HA CYS 58 HA CYS 58 -11.329 -6.749 0.157 398 HB2 CYS 58 1HB CYS 58 -13.120 -8.934 -0.869 399 HB3 CYS 58 2HB CYS 58 -13.780 -7.360 -0.435 400 H ASP 59 H ASP 59 -11.158 -9.259 2.190 401 HA ASP 59 HA ASP 59 -13.325 -8.341 3.948 402 HB2 ASP 59 1HB ASP 59 -12.882 -10.848 3.290 403 HB3 ASP 59 2HB ASP 59 -11.647 -10.749 4.543 404 H ILE 60 H ILE 60 -9.894 -8.430 3.584 405 HA ILE 60 HA ILE 60 -9.157 -8.060 6.292 406 HB ILE 60 HB ILE 60 -7.688 -7.248 3.781 407 HG12 ILE 60 1HG1 ILE 60 -7.083 -9.626 5.518 408 HG13 ILE 60 2HG1 ILE 60 -8.293 -9.729 4.244 409 HG21 ILE 60 1HG2 ILE 60 -6.683 -7.524 6.611 410 HG22 ILE 60 2HG2 ILE 60 -5.692 -7.187 5.193 411 HG23 ILE 60 3HG2 ILE 60 -6.894 -6.013 5.726 412 HD11 ILE 60 1HD1 ILE 60 -6.332 -8.733 2.790 413 HD12 ILE 60 2HD1 ILE 60 -5.348 -9.475 4.052 414 HD13 ILE 60 3HD1 ILE 60 -6.468 -10.461 3.113 415 HA PRO 61 HA PRO 61 -10.453 -3.867 6.861 416 HB2 PRO 61 1HB PRO 61 -9.115 -3.410 9.179 417 HB3 PRO 61 2HB PRO 61 -10.588 -4.384 9.095 418 HG2 PRO 61 1HG PRO 61 -7.731 -5.273 9.196 419 HG3 PRO 61 2HG PRO 61 -9.136 -5.924 10.060 420 HD2 PRO 61 1HD PRO 61 -8.121 -7.093 7.838 421 HD3 PRO 61 2HD PRO 61 -9.851 -7.140 8.237 422 H GLU 62 H GLU 62 -9.512 -1.715 7.082 423 HA GLU 62 HA GLU 62 -7.161 -1.429 5.470 424 HB2 GLU 62 1HB GLU 62 -8.865 0.601 6.922 425 HB3 GLU 62 2HB GLU 62 -7.522 1.020 5.868 426 HG2 GLU 62 1HG GLU 62 -8.627 0.225 3.959 427 HG3 GLU 62 2HG GLU 62 -9.824 -0.647 4.915 428 H GLU 63 H GLU 63 -5.244 -0.261 6.072 429 HA GLU 63 HA GLU 63 -4.237 -1.075 8.624 430 HB2 GLU 63 1HB GLU 63 -2.937 -0.904 6.425 431 HB3 GLU 63 2HB GLU 63 -2.881 0.828 6.724 432 HG2 GLU 63 1HG GLU 63 -1.879 0.201 8.999 433 HG3 GLU 63 2HG GLU 63 -1.610 -1.387 8.283 434 H THR 64 H THR 64 -3.571 0.213 10.345 435 HA THR 64 HA THR 64 -5.209 2.288 11.130 436 HB THR 64 HB THR 64 -2.419 2.387 12.140 437 HG1 THR 64 1HG THR 64 -4.013 0.248 13.018 438 HG21 THR 64 1HG2 THR 64 -4.135 3.688 13.236 439 HG22 THR 64 2HG2 THR 64 -3.627 2.385 14.310 440 HG23 THR 64 3HG2 THR 64 -5.147 2.258 13.426 441 H TRP 65 H TRP 65 -4.893 4.551 11.341 442 HA TRP 65 HA TRP 65 -3.663 5.740 9.031 443 HB2 TRP 65 1HB TRP 65 -5.208 6.845 11.371 444 HB3 TRP 65 2HB TRP 65 -4.465 7.896 10.169 445 HD1 TRP 65 HD TRP 65 -5.233 5.833 7.689 446 HE1 TRP 65 1HE TRP 65 -7.659 5.902 6.830 447 HE3 TRP 65 3HE TRP 65 -7.471 7.990 11.748 448 HZ2 TRP 65 2HZ TRP 65 -10.186 6.758 7.751 449 HZ3 TRP 65 3HZ TRP 65 -9.896 8.401 11.678 450 HH2 TRP 65 HH TRP 65 -11.223 7.797 9.720 451 H THR 66 H THR 66 -1.722 6.671 8.881 452 HA THR 66 HA THR 66 -0.246 7.228 11.371 453 HB THR 66 HB THR 66 0.628 5.200 10.238 454 HG1 THR 66 1HG THR 66 2.601 7.167 9.881 455 HG21 THR 66 1HG2 THR 66 1.302 5.134 8.069 456 HG22 THR 66 2HG2 THR 66 1.817 6.821 8.064 457 HG23 THR 66 3HG2 THR 66 0.107 6.420 7.908 458 H GLY 67 H GLY 67 1.184 8.995 11.346 459 HA2 GLY 67 1HA GLY 67 1.142 10.706 8.963 460 HA3 GLY 67 2HA GLY 67 0.547 11.373 10.476 461 H LEU 68 H LEU 68 3.203 9.114 10.387 462 HA LEU 68 HA LEU 68 4.919 11.053 11.658 463 HB2 LEU 68 1HB LEU 68 4.822 8.659 12.326 464 HB3 LEU 68 2HB LEU 68 5.552 8.241 10.777 465 HG LEU 68 HG LEU 68 6.973 10.123 12.612 466 HD11 LEU 68 1HD1 LEU 68 6.361 8.262 14.046 467 HD12 LEU 68 2HD1 LEU 68 8.085 8.218 13.679 468 HD13 LEU 68 3HD1 LEU 68 6.980 7.117 12.856 469 HD21 LEU 68 1HD2 LEU 68 7.496 8.783 10.150 470 HD22 LEU 68 2HD2 LEU 68 8.636 8.208 11.367 471 HD23 LEU 68 3HD2 LEU 68 8.509 9.934 11.023 472 H GLU 69 H GLU 69 6.149 12.435 10.582 473 HA GLU 69 HA GLU 69 6.587 12.206 7.767 474 HB2 GLU 69 1HB GLU 69 6.326 14.371 9.011 475 HB3 GLU 69 2HB GLU 69 7.921 14.105 9.700 476 HG2 GLU 69 1HG GLU 69 7.553 14.094 6.739 477 HG3 GLU 69 2HG GLU 69 7.651 15.619 7.618 Start of MODEL 9 1 H1 GLY 1 H GLY 1 21.976 12.738 -0.890 2 HA2 GLY 1 1HA GLY 1 24.560 13.136 0.194 3 HA3 GLY 1 2HA GLY 1 23.669 11.999 1.195 4 H SER 2 H SER 2 23.052 9.984 0.324 5 HA SER 2 HA SER 2 23.604 9.190 -2.332 6 HB2 SER 2 1HB SER 2 25.563 7.797 -1.998 7 HB3 SER 2 2HB SER 2 25.947 9.451 -1.520 8 HG SER 2 HG SER 2 26.577 7.646 -0.052 9 H SER 3 H SER 3 22.161 7.649 -2.669 10 HA SER 3 HA SER 3 21.259 6.018 -0.409 11 HB2 SER 3 1HB SER 3 20.052 6.603 -3.115 12 HB3 SER 3 2HB SER 3 19.398 5.382 -2.024 13 HG SER 3 HG SER 3 19.360 8.155 -1.829 14 H GLY 4 H GLY 4 20.673 3.712 -0.938 15 HA2 GLY 4 1HA GLY 4 22.995 2.435 -2.085 16 HA3 GLY 4 2HA GLY 4 21.644 1.635 -1.296 17 H SER 5 H SER 5 22.736 0.542 -3.548 18 HA SER 5 HA SER 5 20.827 1.211 -5.685 19 HB2 SER 5 1HB SER 5 23.586 0.023 -5.718 20 HB3 SER 5 2HB SER 5 22.484 -0.252 -7.067 21 HG SER 5 HG SER 5 23.719 2.101 -6.220 22 H SER 6 H SER 6 19.870 -0.262 -3.550 23 HA SER 6 HA SER 6 19.754 -3.018 -4.571 24 HB2 SER 6 1HB SER 6 18.693 -3.440 -2.251 25 HB3 SER 6 2HB SER 6 20.426 -3.124 -2.322 26 HG SER 6 HG SER 6 20.079 -1.479 -1.081 27 H GLY 7 H GLY 7 18.281 -0.833 -5.761 28 HA2 GLY 7 1HA GLY 7 15.942 -1.822 -6.503 29 HA3 GLY 7 2HA GLY 7 15.524 -1.253 -4.894 30 H GLU 8 H GLU 8 15.611 1.006 -4.451 31 HA GLU 8 HA GLU 8 14.806 2.598 -6.700 32 HB2 GLU 8 1HB GLU 8 13.856 2.745 -4.348 33 HB3 GLU 8 2HB GLU 8 15.339 3.572 -3.896 34 HG2 GLU 8 1HG GLU 8 14.836 5.445 -5.149 35 HG3 GLU 8 2HG GLU 8 13.709 4.573 -6.186 36 H ILE 9 H ILE 9 16.270 3.372 -8.068 37 HA ILE 9 HA ILE 9 18.852 4.301 -7.009 38 HB ILE 9 HB ILE 9 19.721 4.111 -9.276 39 HG12 ILE 9 1HG1 ILE 9 17.611 2.608 -10.509 40 HG13 ILE 9 2HG1 ILE 9 16.976 4.163 -9.982 41 HG21 ILE 9 1HG2 ILE 9 20.110 2.146 -8.141 42 HG22 ILE 9 2HG2 ILE 9 18.395 1.754 -8.017 43 HG23 ILE 9 3HG2 ILE 9 19.234 1.563 -9.556 44 HD11 ILE 9 1HD1 ILE 9 17.797 5.015 -11.851 45 HD12 ILE 9 2HD1 ILE 9 19.409 4.759 -11.183 46 HD13 ILE 9 3HD1 ILE 9 18.677 3.530 -12.214 47 H SER 10 H SER 10 16.435 5.869 -6.822 48 HA SER 10 HA SER 10 15.635 7.964 -7.227 49 HB2 SER 10 1HB SER 10 18.107 8.315 -6.471 50 HB3 SER 10 2HB SER 10 18.377 8.763 -8.156 51 HG SER 10 HG SER 10 17.760 10.650 -7.415 52 H GLY 11 H GLY 11 15.188 6.226 -9.330 53 HA2 GLY 11 1HA GLY 11 15.406 8.061 -11.632 54 HA3 GLY 11 2HA GLY 11 15.700 6.337 -11.813 55 H PHE 12 H PHE 12 13.889 4.880 -11.284 56 HA PHE 12 HA PHE 12 11.302 6.154 -11.888 57 HB2 PHE 12 1HB PHE 12 12.501 4.533 -13.599 58 HB3 PHE 12 2HB PHE 12 11.809 3.288 -12.563 59 HD1 PHE 12 2HD PHE 12 9.405 2.986 -12.417 60 HD2 PHE 12 1HD PHE 12 11.109 5.931 -14.974 61 HE1 PHE 12 2HE PHE 12 7.256 3.200 -13.596 62 HE2 PHE 12 1HE PHE 12 8.962 6.151 -16.156 63 HZ PHE 12 HZ PHE 12 7.033 4.784 -15.469 64 H GLY 13 H GLY 13 11.778 6.139 -9.317 65 HA2 GLY 13 1HA GLY 13 10.594 3.673 -8.219 66 HA3 GLY 13 2HA GLY 13 11.555 4.824 -7.303 67 H GLN 14 H GLN 14 8.417 4.112 -8.634 68 HA GLN 14 HA GLN 14 7.275 6.545 -7.497 69 HB2 GLN 14 1HB GLN 14 6.159 4.363 -9.249 70 HB3 GLN 14 2HB GLN 14 5.135 5.591 -8.517 71 HG2 GLN 14 1HG GLN 14 6.088 7.307 -9.770 72 HG3 GLN 14 2HG GLN 14 7.503 6.342 -10.186 73 HE21 GLN 14 1HE2 GLN 14 5.559 7.795 -11.867 74 HE22 GLN 14 2HE2 GLN 14 4.951 6.624 -12.982 75 H CYS 15 H CYS 15 7.827 5.806 -5.299 76 HA CYS 15 HA CYS 15 6.244 3.605 -4.251 77 HB2 CYS 15 1HB CYS 15 8.220 5.466 -2.916 78 HB3 CYS 15 2HB CYS 15 7.408 4.130 -2.110 79 HG CYS 15 HG CYS 15 9.438 2.615 -2.547 80 H LEU 16 H LEU 16 5.424 4.248 -1.845 81 HA LEU 16 HA LEU 16 3.750 5.240 -0.669 82 HB2 LEU 16 1HB LEU 16 4.408 7.753 -2.181 83 HB3 LEU 16 2HB LEU 16 3.685 7.610 -0.580 84 HG LEU 16 HG LEU 16 6.511 6.777 -1.215 85 HD11 LEU 16 1HD1 LEU 16 6.986 8.932 0.138 86 HD12 LEU 16 2HD1 LEU 16 5.374 9.415 -0.386 87 HD13 LEU 16 3HD1 LEU 16 6.619 9.058 -1.582 88 HD21 LEU 16 1HD2 LEU 16 6.599 7.204 1.350 89 HD22 LEU 16 2HD2 LEU 16 5.935 5.689 0.737 90 HD23 LEU 16 3HD2 LEU 16 4.852 6.979 1.261 91 H VAL 17 H VAL 17 2.990 3.889 -2.990 92 HA VAL 17 HA VAL 17 0.847 5.564 -4.110 93 HB VAL 17 HB VAL 17 0.638 3.713 -5.813 94 HG11 VAL 17 1HG1 VAL 17 1.982 4.890 -7.166 95 HG12 VAL 17 2HG1 VAL 17 2.267 5.903 -5.749 96 HG13 VAL 17 3HG1 VAL 17 3.400 4.614 -6.156 97 HG21 VAL 17 1HG2 VAL 17 2.413 2.123 -6.056 98 HG22 VAL 17 2HG2 VAL 17 3.310 2.844 -4.719 99 HG23 VAL 17 3HG2 VAL 17 1.791 2.002 -4.410 100 H TRP 18 H TRP 18 -1.272 4.999 -3.922 101 HA TRP 18 HA TRP 18 -1.896 2.518 -2.470 102 HB2 TRP 18 1HB TRP 18 -3.050 5.262 -1.935 103 HB3 TRP 18 2HB TRP 18 -3.664 3.767 -1.233 104 HD1 TRP 18 HD TRP 18 -0.324 5.750 -1.306 105 HE1 TRP 18 1HE TRP 18 0.828 5.437 0.974 106 HE3 TRP 18 3HE TRP 18 -3.655 2.526 0.849 107 HZ2 TRP 18 2HZ TRP 18 0.384 4.010 3.369 108 HZ3 TRP 18 3HZ TRP 18 -3.218 1.734 3.137 109 HH2 TRP 18 HH TRP 18 -1.239 2.461 4.369 110 H VAL 19 H VAL 19 -3.792 1.489 -3.039 111 HA VAL 19 HA VAL 19 -5.280 2.664 -5.297 112 HB VAL 19 HB VAL 19 -5.648 0.268 -6.056 113 HG11 VAL 19 1HG1 VAL 19 -3.615 0.213 -7.330 114 HG12 VAL 19 2HG1 VAL 19 -4.109 1.896 -7.142 115 HG13 VAL 19 3HG1 VAL 19 -2.798 1.246 -6.157 116 HG21 VAL 19 1HG2 VAL 19 -4.969 -0.875 -4.033 117 HG22 VAL 19 2HG2 VAL 19 -3.924 -1.358 -5.369 118 HG23 VAL 19 3HG2 VAL 19 -3.343 -0.205 -4.167 119 H GLN 20 H GLN 20 -7.443 2.682 -5.126 120 HA GLN 20 HA GLN 20 -8.616 1.536 -2.705 121 HB2 GLN 20 1HB GLN 20 -8.935 3.976 -3.412 122 HB3 GLN 20 2HB GLN 20 -9.996 3.356 -4.669 123 HG2 GLN 20 1HG GLN 20 -11.324 2.241 -2.852 124 HG3 GLN 20 2HG GLN 20 -10.353 3.149 -1.694 125 HE21 GLN 20 1HE2 GLN 20 -12.009 4.370 -0.896 126 HE22 GLN 20 2HE2 GLN 20 -12.831 5.577 -1.818 127 H CYS 21 H CYS 21 -10.021 -0.115 -2.719 128 HA CYS 21 HA CYS 21 -10.251 -1.863 -4.842 129 HB2 CYS 21 1HB CYS 21 -10.827 -2.254 -2.384 130 HB3 CYS 21 2HB CYS 21 -12.396 -1.543 -2.746 131 H SER 22 H SER 22 -12.061 -2.434 -6.190 132 HA SER 22 HA SER 22 -13.316 -0.098 -7.334 133 HB2 SER 22 1HB SER 22 -12.504 -1.648 -8.933 134 HB3 SER 22 2HB SER 22 -13.249 -3.014 -8.103 135 HG SER 22 HG SER 22 -14.503 -0.976 -9.609 136 H PHE 23 H PHE 23 -14.207 -2.762 -5.291 137 HA PHE 23 HA PHE 23 -17.030 -2.518 -5.647 138 HB2 PHE 23 1HB PHE 23 -15.406 -3.827 -3.457 139 HB3 PHE 23 2HB PHE 23 -17.154 -3.960 -3.614 140 HD1 PHE 23 2HD PHE 23 -17.896 -4.684 -6.104 141 HD2 PHE 23 1HD PHE 23 -14.175 -5.582 -4.244 142 HE1 PHE 23 2HE PHE 23 -17.614 -6.611 -7.607 143 HE2 PHE 23 1HE PHE 23 -13.886 -7.510 -5.745 144 HZ PHE 23 HZ PHE 23 -15.607 -8.027 -7.429 145 HA PRO 24 HA PRO 24 -17.854 0.949 -3.065 146 HB2 PRO 24 1HB PRO 24 -20.439 0.414 -2.431 147 HB3 PRO 24 2HB PRO 24 -19.939 0.981 -4.029 148 HG2 PRO 24 1HG PRO 24 -20.550 -1.802 -3.113 149 HG3 PRO 24 2HG PRO 24 -21.019 -0.992 -4.619 150 HD2 PRO 24 1HD PRO 24 -18.951 -2.736 -4.485 151 HD3 PRO 24 2HD PRO 24 -18.965 -1.355 -5.601 152 H ASN 25 H ASN 25 -19.138 -2.139 -1.817 153 HA ASN 25 HA ASN 25 -19.300 -1.416 0.866 154 HB2 ASN 25 1HB ASN 25 -19.209 -3.853 1.338 155 HB3 ASN 25 2HB ASN 25 -20.329 -3.453 0.039 156 HD21 ASN 25 1HD2 ASN 25 -19.917 -4.145 -2.021 157 HD22 ASN 25 2HD2 ASN 25 -18.657 -5.263 -2.408 158 H CYS 26 H CYS 26 -16.550 -2.191 -1.076 159 HA CYS 26 HA CYS 26 -14.814 -2.659 1.201 160 HB2 CYS 26 1HB CYS 26 -14.686 -3.082 -1.672 161 HB3 CYS 26 2HB CYS 26 -13.214 -2.335 -1.060 162 H GLY 27 H GLY 27 -14.289 -0.531 -1.600 163 HA2 GLY 27 1HA GLY 27 -13.356 1.564 -1.733 164 HA3 GLY 27 2HA GLY 27 -14.379 1.930 -0.352 165 H LYS 28 H LYS 28 -11.890 -0.498 -0.161 166 HA LYS 28 HA LYS 28 -10.516 1.127 1.841 167 HB2 LYS 28 1HB LYS 28 -10.195 -1.789 1.106 168 HB3 LYS 28 2HB LYS 28 -9.347 -0.976 2.414 169 HG2 LYS 28 1HG LYS 28 -11.506 -0.516 3.500 170 HG3 LYS 28 2HG LYS 28 -12.321 -1.400 2.208 171 HD2 LYS 28 1HD LYS 28 -11.146 -3.431 2.816 172 HD3 LYS 28 2HD LYS 28 -10.228 -2.561 4.047 173 HE2 LYS 28 1HE LYS 28 -12.103 -3.852 4.993 174 HE3 LYS 28 2HE LYS 28 -12.250 -2.122 5.296 175 HZ1 LYS 28 1HZ LYS 28 -13.916 -1.919 3.679 176 HZ2 LYS 28 2HZ LYS 28 -14.324 -3.314 4.545 177 HZ3 LYS 28 3HZ LYS 28 -13.603 -3.446 3.021 178 H TRP 29 H TRP 29 -8.324 1.608 1.758 179 HA TRP 29 HA TRP 29 -7.191 1.596 -0.937 180 HB2 TRP 29 1HB TRP 29 -6.548 3.158 1.561 181 HB3 TRP 29 2HB TRP 29 -5.498 3.176 0.147 182 HD1 TRP 29 HD TRP 29 -8.779 4.555 1.452 183 HE1 TRP 29 1HE TRP 29 -9.697 6.278 -0.226 184 HE3 TRP 29 3HE TRP 29 -5.541 3.726 -2.416 185 HZ2 TRP 29 2HZ TRP 29 -9.124 7.167 -2.843 186 HZ3 TRP 29 3HZ TRP 29 -5.794 5.054 -4.472 187 HH2 TRP 29 HH TRP 29 -7.549 6.738 -4.679 188 H ARG 30 H ARG 30 -6.126 -0.252 -1.342 189 HA ARG 30 HA ARG 30 -4.603 -1.594 0.717 190 HB2 ARG 30 1HB ARG 30 -4.821 -2.236 -2.229 191 HB3 ARG 30 2HB ARG 30 -4.175 -3.288 -0.977 192 HG2 ARG 30 1HG ARG 30 -6.999 -2.286 -0.889 193 HG3 ARG 30 2HG ARG 30 -6.546 -3.731 -1.795 194 HD2 ARG 30 1HD ARG 30 -6.996 -4.762 0.162 195 HD3 ARG 30 2HD ARG 30 -5.351 -4.263 0.554 196 HE ARG 30 HE ARG 30 -6.799 -2.157 1.382 197 HH11 ARG 30 1HH1 ARG 30 -7.128 -5.581 1.919 198 HH12 ARG 30 2HH1 ARG 30 -7.851 -5.399 3.482 199 HH21 ARG 30 1HH2 ARG 30 -7.750 -1.904 3.440 200 HH22 ARG 30 2HH2 ARG 30 -8.205 -3.307 4.346 201 H ARG 31 H ARG 31 -2.575 -1.103 1.196 202 HA ARG 31 HA ARG 31 -1.032 0.724 -0.329 203 HB2 ARG 31 1HB ARG 31 0.705 0.365 1.304 204 HB3 ARG 31 2HB ARG 31 -0.844 0.442 2.134 205 HG2 ARG 31 1HG ARG 31 -0.887 -1.931 2.418 206 HG3 ARG 31 2HG ARG 31 0.541 -2.125 1.399 207 HD2 ARG 31 1HD ARG 31 1.896 -0.940 3.021 208 HD3 ARG 31 2HD ARG 31 0.475 -0.632 4.018 209 HE ARG 31 HE ARG 31 0.714 -3.394 3.654 210 HH11 ARG 31 1HH1 ARG 31 2.384 -0.772 5.220 211 HH12 ARG 31 2HH1 ARG 31 3.047 -1.769 6.472 212 HH21 ARG 31 1HH2 ARG 31 1.581 -4.718 5.296 213 HH22 ARG 31 2HH2 ARG 31 2.591 -4.014 6.513 214 H LEU 32 H LEU 32 0.700 0.409 -1.674 215 HA LEU 32 HA LEU 32 1.267 -2.377 -2.447 216 HB2 LEU 32 1HB LEU 32 1.067 0.078 -4.179 217 HB3 LEU 32 2HB LEU 32 1.736 -1.456 -4.731 218 HG LEU 32 HG LEU 32 -1.035 -1.396 -3.622 219 HD11 LEU 32 1HD1 LEU 32 -1.715 -1.066 -6.099 220 HD12 LEU 32 2HD1 LEU 32 -0.146 -0.275 -6.248 221 HD13 LEU 32 3HD1 LEU 32 -1.341 0.347 -5.111 222 HD21 LEU 32 1HD2 LEU 32 0.389 -3.002 -5.740 223 HD22 LEU 32 2HD2 LEU 32 -1.318 -3.176 -5.328 224 HD23 LEU 32 3HD2 LEU 32 -0.078 -3.543 -4.127 225 H CYS 33 H CYS 33 3.407 -2.504 -3.709 226 HA CYS 33 HA CYS 33 5.482 -1.642 -1.992 227 HB2 CYS 33 1HB CYS 33 5.305 -3.130 -4.556 228 HB3 CYS 33 2HB CYS 33 6.855 -2.391 -4.175 229 HG CYS 33 HG CYS 33 7.223 -4.922 -3.330 230 H GLY 34 H GLY 34 5.362 -0.985 -5.487 231 HA2 GLY 34 1HA GLY 34 5.289 1.790 -5.398 232 HA3 GLY 34 2HA GLY 34 6.981 1.335 -5.257 233 H ASN 35 H ASN 35 6.561 -1.073 -6.936 234 HA ASN 35 HA ASN 35 7.199 0.087 -9.434 235 HB2 ASN 35 1HB ASN 35 6.279 -2.758 -9.154 236 HB3 ASN 35 2HB ASN 35 7.524 -2.096 -10.209 237 HD21 ASN 35 1HD2 ASN 35 8.978 -0.611 -8.392 238 HD22 ASN 35 2HD2 ASN 35 9.740 -1.680 -7.269 239 H ILE 36 H ILE 36 4.219 -0.861 -7.971 240 HA ILE 36 HA ILE 36 2.744 -1.006 -10.447 241 HB ILE 36 HB ILE 36 1.743 -0.902 -7.599 242 HG12 ILE 36 1HG1 ILE 36 1.239 -3.405 -8.346 243 HG13 ILE 36 2HG1 ILE 36 2.607 -3.108 -9.413 244 HG21 ILE 36 1HG2 ILE 36 0.388 -0.909 -10.195 245 HG22 ILE 36 2HG2 ILE 36 -0.192 -2.133 -9.067 246 HG23 ILE 36 3HG2 ILE 36 -0.205 -0.431 -8.604 247 HD11 ILE 36 1HD1 ILE 36 4.095 -2.956 -7.685 248 HD12 ILE 36 2HD1 ILE 36 2.866 -2.452 -6.524 249 HD13 ILE 36 3HD1 ILE 36 2.953 -4.136 -7.041 250 H ASP 37 H ASP 37 1.308 0.492 -11.255 251 HA ASP 37 HA ASP 37 1.122 3.083 -9.895 252 HB2 ASP 37 1HB ASP 37 2.728 2.620 -12.164 253 HB3 ASP 37 2HB ASP 37 1.307 3.487 -12.741 254 HA PRO 38 HA PRO 38 -3.130 2.862 -10.971 255 HB2 PRO 38 1HB PRO 38 -3.750 5.504 -11.046 256 HB3 PRO 38 2HB PRO 38 -3.445 4.631 -9.540 257 HG2 PRO 38 1HG PRO 38 -1.608 6.398 -11.110 258 HG3 PRO 38 2HG PRO 38 -1.860 6.322 -9.356 259 HD2 PRO 38 1HD PRO 38 0.251 5.145 -10.577 260 HD3 PRO 38 2HD PRO 38 -0.501 4.477 -9.114 261 H SER 39 H SER 39 -0.885 4.618 -12.956 262 HA SER 39 HA SER 39 -2.684 5.282 -15.058 263 HB2 SER 39 1HB SER 39 0.291 5.230 -14.742 264 HB3 SER 39 2HB SER 39 -0.391 5.367 -16.362 265 HG SER 39 HG SER 39 -0.092 7.275 -14.549 266 H VAL 40 H VAL 40 -0.583 2.537 -14.394 267 HA VAL 40 HA VAL 40 -1.332 1.267 -16.914 268 HB VAL 40 HB VAL 40 0.240 -0.536 -16.192 269 HG11 VAL 40 1HG1 VAL 40 1.239 0.935 -17.655 270 HG12 VAL 40 2HG1 VAL 40 1.087 2.304 -16.552 271 HG13 VAL 40 3HG1 VAL 40 2.304 1.062 -16.256 272 HG21 VAL 40 1HG2 VAL 40 1.382 -0.506 -14.219 273 HG22 VAL 40 2HG2 VAL 40 1.330 1.252 -14.085 274 HG23 VAL 40 3HG2 VAL 40 -0.100 0.296 -13.696 275 H LEU 41 H LEU 41 -2.156 1.228 -13.578 276 HA LEU 41 HA LEU 41 -3.152 -1.410 -13.375 277 HB2 LEU 41 1HB LEU 41 -3.553 1.122 -11.846 278 HB3 LEU 41 2HB LEU 41 -4.596 -0.261 -11.523 279 HG LEU 41 HG LEU 41 -1.608 -0.510 -11.407 280 HD11 LEU 41 1HD1 LEU 41 -2.374 -0.298 -8.803 281 HD12 LEU 41 2HD1 LEU 41 -3.370 0.937 -9.572 282 HD13 LEU 41 3HD1 LEU 41 -1.615 0.987 -9.743 283 HD21 LEU 41 1HD2 LEU 41 -3.975 -2.071 -10.465 284 HD22 LEU 41 2HD2 LEU 41 -2.435 -2.211 -9.617 285 HD23 LEU 41 3HD2 LEU 41 -2.540 -2.620 -11.330 286 HA PRO 42 HA PRO 42 -6.979 -1.257 -15.521 287 HB2 PRO 42 1HB PRO 42 -8.483 -2.945 -14.019 288 HB3 PRO 42 2HB PRO 42 -7.179 -3.501 -15.075 289 HG2 PRO 42 1HG PRO 42 -7.158 -3.048 -12.116 290 HG3 PRO 42 2HG PRO 42 -6.466 -4.389 -13.048 291 HD2 PRO 42 1HD PRO 42 -4.966 -2.335 -12.118 292 HD3 PRO 42 2HD PRO 42 -4.592 -3.182 -13.633 293 H ASP 43 H ASP 43 -9.487 -1.215 -14.896 294 HA ASP 43 HA ASP 43 -9.797 1.119 -13.144 295 HB2 ASP 43 1HB ASP 43 -11.337 0.069 -15.494 296 HB3 ASP 43 2HB ASP 43 -12.127 1.135 -14.335 297 H ASN 44 H ASN 44 -10.780 -2.190 -13.575 298 HA ASN 44 HA ASN 44 -12.699 -1.978 -11.370 299 HB2 ASN 44 1HB ASN 44 -12.158 -4.431 -13.040 300 HB3 ASN 44 2HB ASN 44 -13.582 -4.070 -12.070 301 HD21 ASN 44 1HD2 ASN 44 -12.505 -4.281 -15.120 302 HD22 ASN 44 2HD2 ASN 44 -13.578 -3.176 -15.904 303 H TRP 45 H TRP 45 -9.824 -1.797 -10.941 304 HA TRP 45 HA TRP 45 -8.715 -4.192 -10.004 305 HB2 TRP 45 1HB TRP 45 -7.461 -2.065 -10.404 306 HB3 TRP 45 2HB TRP 45 -8.179 -1.414 -8.933 307 HD1 TRP 45 HD TRP 45 -5.403 -3.663 -10.151 308 HE1 TRP 45 1HE TRP 45 -3.986 -4.433 -8.145 309 HE3 TRP 45 3HE TRP 45 -8.402 -2.008 -6.356 310 HZ2 TRP 45 2HZ TRP 45 -4.122 -4.350 -5.326 311 HZ3 TRP 45 3HZ TRP 45 -7.687 -2.394 -4.034 312 HH2 TRP 45 HH TRP 45 -5.591 -3.541 -3.532 313 H SER 46 H SER 46 -8.552 -5.089 -7.939 314 HA SER 46 HA SER 46 -10.283 -4.002 -5.846 315 HB2 SER 46 1HB SER 46 -11.063 -6.443 -5.452 316 HB3 SER 46 2HB SER 46 -11.812 -5.527 -6.760 317 HG SER 46 HG SER 46 -11.011 -7.759 -7.211 318 H CYS 47 H CYS 47 -10.056 -5.560 -3.830 319 HA CYS 47 HA CYS 47 -7.400 -5.367 -2.958 320 HB2 CYS 47 1HB CYS 47 -9.554 -7.153 -1.810 321 HB3 CYS 47 2HB CYS 47 -8.128 -6.550 -0.973 322 H ASP 48 H ASP 48 -9.141 -7.952 -4.522 323 HA ASP 48 HA ASP 48 -7.374 -10.067 -3.915 324 HB2 ASP 48 1HB ASP 48 -9.550 -10.607 -4.746 325 HB3 ASP 48 2HB ASP 48 -9.304 -9.640 -6.197 326 H GLN 49 H GLN 49 -7.063 -7.368 -5.971 327 HA GLN 49 HA GLN 49 -4.959 -8.642 -7.562 328 HB2 GLN 49 1HB GLN 49 -6.443 -6.034 -7.848 329 HB3 GLN 49 2HB GLN 49 -5.019 -6.417 -8.806 330 HG2 GLN 49 1HG GLN 49 -6.123 -8.305 -9.794 331 HG3 GLN 49 2HG GLN 49 -7.517 -8.092 -8.736 332 HE21 GLN 49 1HE2 GLN 49 -9.181 -7.250 -9.743 333 HE22 GLN 49 2HE2 GLN 49 -9.128 -6.074 -11.006 334 H ASN 50 H ASN 50 -4.693 -7.920 -4.700 335 HA ASN 50 HA ASN 50 -2.759 -5.736 -4.764 336 HB2 ASN 50 1HB ASN 50 -4.601 -6.227 -2.927 337 HB3 ASN 50 2HB ASN 50 -3.352 -7.287 -2.279 338 HD21 ASN 50 1HD2 ASN 50 -2.497 -6.289 -0.602 339 HD22 ASN 50 2HD2 ASN 50 -1.947 -4.652 -0.572 340 H THR 51 H THR 51 -0.615 -5.968 -3.992 341 HA THR 51 HA THR 51 0.535 -8.565 -4.619 342 HB THR 51 HB THR 51 2.661 -7.484 -4.687 343 HG1 THR 51 1HG THR 51 1.322 -5.420 -3.285 344 HG21 THR 51 1HG2 THR 51 0.549 -6.716 -6.297 345 HG22 THR 51 2HG2 THR 51 2.258 -6.419 -6.614 346 HG23 THR 51 3HG2 THR 51 1.281 -5.185 -5.818 347 H ASP 52 H ASP 52 -0.197 -6.620 -1.867 348 HA ASP 52 HA ASP 52 1.602 -8.079 -0.111 349 HB2 ASP 52 1HB ASP 52 1.094 -5.599 0.122 350 HB3 ASP 52 2HB ASP 52 -0.502 -6.072 0.699 351 H VAL 53 H VAL 53 1.009 -10.086 0.400 352 HA VAL 53 HA VAL 53 -1.547 -11.167 0.285 353 HB VAL 53 HB VAL 53 -0.711 -13.016 1.631 354 HG11 VAL 53 1HG1 VAL 53 0.122 -13.549 -0.376 355 HG12 VAL 53 2HG1 VAL 53 0.729 -11.916 -0.659 356 HG13 VAL 53 3HG1 VAL 53 1.678 -13.058 0.293 357 HG21 VAL 53 1HG2 VAL 53 1.588 -12.922 2.563 358 HG22 VAL 53 2HG2 VAL 53 1.632 -11.199 2.188 359 HG23 VAL 53 3HG2 VAL 53 0.465 -11.817 3.357 360 H GLN 54 H GLN 54 -0.060 -9.239 2.748 361 HA GLN 54 HA GLN 54 -1.718 -9.965 4.920 362 HB2 GLN 54 1HB GLN 54 -0.373 -7.299 4.465 363 HB3 GLN 54 2HB GLN 54 -0.894 -7.972 6.004 364 HG2 GLN 54 1HG GLN 54 0.755 -9.919 5.250 365 HG3 GLN 54 2HG GLN 54 1.494 -8.581 4.373 366 HE21 GLN 54 1HE2 GLN 54 3.028 -9.698 6.191 367 HE22 GLN 54 2HE2 GLN 54 3.162 -8.727 7.613 368 H TYR 55 H TYR 55 -2.222 -7.984 2.150 369 HA TYR 55 HA TYR 55 -4.936 -7.417 3.059 370 HB2 TYR 55 1HB TYR 55 -3.072 -5.267 2.030 371 HB3 TYR 55 2HB TYR 55 -4.786 -5.056 2.370 372 HD1 TYR 55 1HD TYR 55 -1.478 -5.648 3.889 373 HD2 TYR 55 2HD TYR 55 -5.573 -4.743 4.604 374 HE1 TYR 55 1HE TYR 55 -0.937 -5.066 6.217 375 HE2 TYR 55 2HE TYR 55 -5.044 -4.157 6.933 376 HH TYR 55 HH TYR 55 -2.790 -3.309 8.151 377 H ASN 56 H ASN 56 -4.484 -9.325 1.296 378 HA ASN 56 HA ASN 56 -4.937 -8.126 -1.354 379 HB2 ASN 56 1HB ASN 56 -3.955 -9.984 -2.357 380 HB3 ASN 56 2HB ASN 56 -2.979 -9.786 -0.905 381 HD21 ASN 56 1HD2 ASN 56 -3.435 -11.159 0.908 382 HD22 ASN 56 2HD2 ASN 56 -4.109 -12.729 0.649 383 H ARG 57 H ARG 57 -6.872 -8.649 0.893 384 HA ARG 57 HA ARG 57 -8.806 -10.187 -0.700 385 HB2 ARG 57 1HB ARG 57 -8.503 -10.340 2.305 386 HB3 ARG 57 2HB ARG 57 -9.717 -11.174 1.346 387 HG2 ARG 57 1HG ARG 57 -7.075 -11.762 0.370 388 HG3 ARG 57 2HG ARG 57 -7.207 -12.119 2.093 389 HD2 ARG 57 1HD ARG 57 -9.275 -13.410 1.604 390 HD3 ARG 57 2HD ARG 57 -8.985 -13.144 -0.115 391 HE ARG 57 HE ARG 57 -6.765 -14.342 1.264 392 HH11 ARG 57 1HH1 ARG 57 -9.768 -14.936 -0.394 393 HH12 ARG 57 2HH1 ARG 57 -9.358 -16.563 -0.827 394 HH21 ARG 57 1HH2 ARG 57 -6.214 -16.482 0.700 395 HH22 ARG 57 2HH2 ARG 57 -7.336 -17.441 -0.204 396 H CYS 58 H CYS 58 -11.032 -9.630 -0.331 397 HA CYS 58 HA CYS 58 -11.362 -6.802 0.171 398 HB2 CYS 58 1HB CYS 58 -13.170 -8.982 -0.845 399 HB3 CYS 58 2HB CYS 58 -13.807 -7.397 -0.420 400 H ASP 59 H ASP 59 -11.191 -9.359 2.163 401 HA ASP 59 HA ASP 59 -13.343 -8.468 3.949 402 HB2 ASP 59 1HB ASP 59 -12.889 -10.959 3.271 403 HB3 ASP 59 2HB ASP 59 -11.627 -10.863 4.496 404 H ILE 60 H ILE 60 -9.909 -8.528 3.572 405 HA ILE 60 HA ILE 60 -9.169 -8.161 6.279 406 HB ILE 60 HB ILE 60 -7.709 -7.327 3.770 407 HG12 ILE 60 1HG1 ILE 60 -7.084 -9.712 5.489 408 HG13 ILE 60 2HG1 ILE 60 -8.302 -9.815 4.222 409 HG21 ILE 60 1HG2 ILE 60 -6.695 -7.619 6.595 410 HG22 ILE 60 2HG2 ILE 60 -5.712 -7.261 5.176 411 HG23 ILE 60 3HG2 ILE 60 -6.922 -6.102 5.726 412 HD11 ILE 60 1HD1 ILE 60 -6.352 -8.796 2.765 413 HD12 ILE 60 2HD1 ILE 60 -5.360 -9.550 4.014 414 HD13 ILE 60 3HD1 ILE 60 -6.484 -10.528 3.070 415 HA PRO 61 HA PRO 61 -10.490 -3.978 6.866 416 HB2 PRO 61 1HB PRO 61 -9.147 -3.519 9.181 417 HB3 PRO 61 2HB PRO 61 -10.613 -4.503 9.100 418 HG2 PRO 61 1HG PRO 61 -7.749 -5.372 9.187 419 HG3 PRO 61 2HG PRO 61 -9.146 -6.036 10.054 420 HD2 PRO 61 1HD PRO 61 -8.132 -7.191 7.825 421 HD3 PRO 61 2HD PRO 61 -9.859 -7.251 8.230 422 H GLU 62 H GLU 62 -9.550 -1.819 7.125 423 HA GLU 62 HA GLU 62 -7.195 -1.521 5.507 424 HB2 GLU 62 1HB GLU 62 -8.907 0.523 6.930 425 HB3 GLU 62 2HB GLU 62 -7.594 0.915 5.828 426 HG2 GLU 62 1HG GLU 62 -8.747 0.118 3.972 427 HG3 GLU 62 2HG GLU 62 -9.872 -0.817 4.956 428 H GLU 63 H GLU 63 -5.434 0.006 6.186 429 HA GLU 63 HA GLU 63 -4.241 -0.956 8.589 430 HB2 GLU 63 1HB GLU 63 -3.207 -0.017 6.312 431 HB3 GLU 63 2HB GLU 63 -3.165 1.471 7.246 432 HG2 GLU 63 1HG GLU 63 -1.894 0.281 9.003 433 HG3 GLU 63 2HG GLU 63 -1.855 -1.141 7.962 434 H THR 64 H THR 64 -4.911 -0.322 10.528 435 HA THR 64 HA THR 64 -6.415 1.916 11.146 436 HB THR 64 HB THR 64 -5.764 1.573 13.488 437 HG1 THR 64 1HG THR 64 -3.956 0.577 13.983 438 HG21 THR 64 1HG2 THR 64 -7.394 0.045 12.292 439 HG22 THR 64 2HG2 THR 64 -6.654 -0.611 13.752 440 HG23 THR 64 3HG2 THR 64 -6.073 -1.116 12.166 441 H TRP 65 H TRP 65 -6.001 4.013 11.497 442 HA TRP 65 HA TRP 65 -3.408 5.054 10.871 443 HB2 TRP 65 1HB TRP 65 -4.432 7.249 11.204 444 HB3 TRP 65 2HB TRP 65 -5.470 6.227 10.214 445 HD1 TRP 65 HD TRP 65 -5.247 7.687 13.769 446 HE1 TRP 65 1HE TRP 65 -7.611 7.703 14.786 447 HE3 TRP 65 3HE TRP 65 -7.736 5.181 10.074 448 HZ2 TRP 65 2HZ TRP 65 -10.190 6.774 14.112 449 HZ3 TRP 65 3HZ TRP 65 -10.151 4.785 10.337 450 HH2 TRP 65 HH TRP 65 -11.350 5.566 12.315 451 H THR 66 H THR 66 -5.162 4.325 13.778 452 HA THR 66 HA THR 66 -3.941 5.938 15.653 453 HB THR 66 HB THR 66 -4.724 3.036 15.995 454 HG1 THR 66 1HG THR 66 -6.162 5.454 16.468 455 HG21 THR 66 1HG2 THR 66 -5.051 3.838 18.409 456 HG22 THR 66 2HG2 THR 66 -4.023 5.199 17.960 457 HG23 THR 66 3HG2 THR 66 -3.399 3.553 17.863 458 H GLY 67 H GLY 67 -1.958 6.103 16.502 459 HA2 GLY 67 1HA GLY 67 0.027 5.012 17.392 460 HA3 GLY 67 2HA GLY 67 -0.067 3.882 16.049 461 H LEU 68 H LEU 68 -0.744 6.211 14.239 462 HA LEU 68 HA LEU 68 1.976 6.804 13.509 463 HB2 LEU 68 1HB LEU 68 0.198 6.329 11.852 464 HB3 LEU 68 2HB LEU 68 -0.597 7.832 12.319 465 HG LEU 68 HG LEU 68 1.483 9.037 11.564 466 HD11 LEU 68 1HD1 LEU 68 2.116 6.364 10.322 467 HD12 LEU 68 2HD1 LEU 68 2.999 7.109 11.654 468 HD13 LEU 68 3HD1 LEU 68 2.992 7.874 10.065 469 HD21 LEU 68 1HD2 LEU 68 0.724 9.200 9.381 470 HD22 LEU 68 2HD2 LEU 68 -0.699 8.608 10.239 471 HD23 LEU 68 3HD2 LEU 68 0.290 7.493 9.295 472 H GLU 69 H GLU 69 -0.653 8.446 15.103 473 HA GLU 69 HA GLU 69 0.955 10.909 15.211 474 HB2 GLU 69 1HB GLU 69 -1.343 11.074 14.227 475 HB3 GLU 69 2HB GLU 69 -1.994 10.606 15.791 476 HG2 GLU 69 1HG GLU 69 -2.133 12.984 15.558 477 HG3 GLU 69 2HG GLU 69 -0.937 12.594 16.793 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -9.099 11.573 7.615 2 HA2 GLY 1 1HA GLY 1 -6.553 11.355 6.308 3 HA3 GLY 1 2HA GLY 1 -8.111 11.584 5.527 4 H SER 2 H SER 2 -5.732 13.351 7.498 5 HA SER 2 HA SER 2 -6.495 15.810 6.080 6 HB2 SER 2 1HB SER 2 -4.727 15.754 8.508 7 HB3 SER 2 2HB SER 2 -5.774 17.049 7.928 8 HG SER 2 HG SER 2 -7.422 16.172 8.923 9 H SER 3 H SER 3 -4.893 17.181 5.216 10 HA SER 3 HA SER 3 -2.800 15.873 3.872 11 HB2 SER 3 1HB SER 3 -2.824 18.844 4.351 12 HB3 SER 3 2HB SER 3 -2.281 17.960 2.925 13 HG SER 3 HG SER 3 -4.640 17.293 2.864 14 H GLY 4 H GLY 4 -0.545 16.003 4.116 15 HA2 GLY 4 1HA GLY 4 0.335 16.004 6.850 16 HA3 GLY 4 2HA GLY 4 1.331 15.707 5.433 17 H SER 5 H SER 5 2.463 17.119 7.391 18 HA SER 5 HA SER 5 2.054 19.907 7.326 19 HB2 SER 5 1HB SER 5 3.371 18.476 9.037 20 HB3 SER 5 2HB SER 5 4.725 18.655 7.922 21 HG SER 5 HG SER 5 3.299 20.694 9.277 22 H SER 6 H SER 6 4.176 21.297 6.764 23 HA SER 6 HA SER 6 4.469 20.999 3.884 24 HB2 SER 6 1HB SER 6 3.895 23.200 5.081 25 HB3 SER 6 2HB SER 6 5.594 23.245 5.553 26 HG SER 6 HG SER 6 4.685 24.195 3.382 27 H GLY 7 H GLY 7 6.611 21.384 2.883 28 HA2 GLY 7 1HA GLY 7 9.018 21.370 3.103 29 HA3 GLY 7 2HA GLY 7 8.829 20.413 4.564 30 H GLU 8 H GLU 8 10.027 20.168 1.635 31 HA GLU 8 HA GLU 8 9.096 17.399 1.243 32 HB2 GLU 8 1HB GLU 8 9.905 17.758 -1.156 33 HB3 GLU 8 2HB GLU 8 8.417 18.565 -0.681 34 HG2 GLU 8 1HG GLU 8 11.000 20.025 -0.437 35 HG3 GLU 8 2HG GLU 8 10.260 19.834 -2.026 36 H ILE 9 H ILE 9 10.561 15.915 1.719 37 HA ILE 9 HA ILE 9 13.250 16.532 2.341 38 HB ILE 9 HB ILE 9 13.591 14.109 2.518 39 HG12 ILE 9 1HG1 ILE 9 11.257 12.830 2.212 40 HG13 ILE 9 2HG1 ILE 9 11.040 14.077 0.988 41 HG21 ILE 9 1HG2 ILE 9 12.490 15.432 4.327 42 HG22 ILE 9 2HG2 ILE 9 10.934 14.888 3.702 43 HG23 ILE 9 3HG2 ILE 9 12.089 13.715 4.335 44 HD11 ILE 9 1HD1 ILE 9 13.649 12.830 0.830 45 HD12 ILE 9 2HD1 ILE 9 12.331 11.670 0.663 46 HD13 ILE 9 3HD1 ILE 9 12.423 13.061 -0.416 47 H SER 10 H SER 10 14.946 14.824 1.294 48 HA SER 10 HA SER 10 14.760 15.101 -1.629 49 HB2 SER 10 1HB SER 10 16.224 16.877 -0.724 50 HB3 SER 10 2HB SER 10 17.233 15.644 0.034 51 HG SER 10 HG SER 10 17.998 16.403 -2.040 52 H GLY 11 H GLY 11 15.941 13.553 -2.850 53 HA2 GLY 11 1HA GLY 11 17.451 11.636 -2.882 54 HA3 GLY 11 2HA GLY 11 16.829 11.203 -1.296 55 H PHE 12 H PHE 12 16.809 9.198 -2.955 56 HA PHE 12 HA PHE 12 14.570 9.005 -4.683 57 HB2 PHE 12 1HB PHE 12 16.564 7.106 -3.550 58 HB3 PHE 12 2HB PHE 12 15.074 6.430 -4.200 59 HD1 PHE 12 2HD PHE 12 17.866 8.723 -5.083 60 HD2 PHE 12 1HD PHE 12 14.891 6.011 -6.466 61 HE1 PHE 12 2HE PHE 12 18.800 8.862 -7.354 62 HE2 PHE 12 1HE PHE 12 15.821 6.146 -8.740 63 HZ PHE 12 HZ PHE 12 17.777 7.573 -9.187 64 H GLY 13 H GLY 13 15.106 7.076 -1.735 65 HA2 GLY 13 1HA GLY 13 13.673 6.620 0.024 66 HA3 GLY 13 2HA GLY 13 12.553 7.806 -0.629 67 H GLN 14 H GLN 14 10.871 6.290 -0.071 68 HA GLN 14 HA GLN 14 10.633 4.104 -2.032 69 HB2 GLN 14 1HB GLN 14 9.823 4.251 0.853 70 HB3 GLN 14 2HB GLN 14 8.994 3.158 -0.248 71 HG2 GLN 14 1HG GLN 14 11.962 3.089 -0.161 72 HG3 GLN 14 2HG GLN 14 11.061 2.381 1.179 73 HE21 GLN 14 1HE2 GLN 14 9.720 0.601 0.790 74 HE22 GLN 14 2HE2 GLN 14 9.903 -0.381 -0.619 75 H CYS 15 H CYS 15 9.207 4.596 -3.553 76 HA CYS 15 HA CYS 15 7.420 6.700 -3.544 77 HB2 CYS 15 1HB CYS 15 8.200 5.070 -5.455 78 HB3 CYS 15 2HB CYS 15 6.729 4.199 -5.037 79 HG CYS 15 HG CYS 15 6.855 7.468 -6.045 80 H LEU 16 H LEU 16 5.183 6.881 -3.231 81 HA LEU 16 HA LEU 16 3.975 4.740 -1.607 82 HB2 LEU 16 1HB LEU 16 2.697 6.631 -0.491 83 HB3 LEU 16 2HB LEU 16 4.399 6.447 -0.071 84 HG LEU 16 HG LEU 16 3.676 8.378 -2.219 85 HD11 LEU 16 1HD1 LEU 16 2.095 8.671 -0.233 86 HD12 LEU 16 2HD1 LEU 16 3.024 10.077 -0.752 87 HD13 LEU 16 3HD1 LEU 16 3.526 9.166 0.672 88 HD21 LEU 16 1HD2 LEU 16 5.972 7.664 -0.742 89 HD22 LEU 16 2HD2 LEU 16 5.529 9.300 -0.254 90 HD23 LEU 16 3HD2 LEU 16 5.807 8.933 -1.957 91 H VAL 17 H VAL 17 2.597 3.796 -2.995 92 HA VAL 17 HA VAL 17 0.635 5.534 -4.343 93 HB VAL 17 HB VAL 17 0.483 3.775 -6.122 94 HG11 VAL 17 1HG1 VAL 17 1.919 5.937 -6.146 95 HG12 VAL 17 2HG1 VAL 17 3.284 4.823 -6.046 96 HG13 VAL 17 3HG1 VAL 17 2.160 4.724 -7.403 97 HG21 VAL 17 1HG2 VAL 17 1.529 1.835 -5.863 98 HG22 VAL 17 2HG2 VAL 17 3.083 2.669 -5.860 99 HG23 VAL 17 3HG2 VAL 17 2.223 2.399 -4.343 100 H TRP 18 H TRP 18 -1.361 5.213 -3.639 101 HA TRP 18 HA TRP 18 -2.026 2.617 -2.422 102 HB2 TRP 18 1HB TRP 18 -3.276 5.337 -1.983 103 HB3 TRP 18 2HB TRP 18 -3.825 3.842 -1.232 104 HD1 TRP 18 HD TRP 18 -0.664 6.082 -1.308 105 HE1 TRP 18 1HE TRP 18 0.522 5.857 0.965 106 HE3 TRP 18 3HE TRP 18 -3.653 2.521 0.818 107 HZ2 TRP 18 2HZ TRP 18 0.229 4.367 3.345 108 HZ3 TRP 18 3HZ TRP 18 -3.131 1.750 3.096 109 HH2 TRP 18 HH TRP 18 -1.230 2.655 4.331 110 H VAL 19 H VAL 19 -3.871 1.525 -3.024 111 HA VAL 19 HA VAL 19 -5.328 2.617 -5.343 112 HB VAL 19 HB VAL 19 -5.650 0.186 -6.022 113 HG11 VAL 19 1HG1 VAL 19 -4.223 1.608 -7.307 114 HG12 VAL 19 2HG1 VAL 19 -2.924 1.466 -6.122 115 HG13 VAL 19 3HG1 VAL 19 -3.394 0.067 -7.089 116 HG21 VAL 19 1HG2 VAL 19 -3.908 -1.380 -5.250 117 HG22 VAL 19 2HG2 VAL 19 -3.369 -0.175 -4.081 118 HG23 VAL 19 3HG2 VAL 19 -4.984 -0.871 -3.948 119 H GLN 20 H GLN 20 -7.460 2.769 -5.103 120 HA GLN 20 HA GLN 20 -8.690 1.620 -2.724 121 HB2 GLN 20 1HB GLN 20 -8.975 4.055 -3.548 122 HB3 GLN 20 2HB GLN 20 -10.088 3.372 -4.727 123 HG2 GLN 20 1HG GLN 20 -11.173 2.275 -2.615 124 HG3 GLN 20 2HG GLN 20 -10.351 3.586 -1.771 125 HE21 GLN 20 1HE2 GLN 20 -12.105 4.761 -1.200 126 HE22 GLN 20 2HE2 GLN 20 -13.169 5.522 -2.329 127 H CYS 21 H CYS 21 -10.027 -0.075 -2.738 128 HA CYS 21 HA CYS 21 -10.255 -1.822 -4.859 129 HB2 CYS 21 1HB CYS 21 -10.793 -2.238 -2.404 130 HB3 CYS 21 2HB CYS 21 -12.373 -1.531 -2.730 131 H SER 22 H SER 22 -12.024 -2.397 -6.230 132 HA SER 22 HA SER 22 -13.332 -0.092 -7.355 133 HB2 SER 22 1HB SER 22 -12.497 -1.689 -8.921 134 HB3 SER 22 2HB SER 22 -13.314 -3.019 -8.101 135 HG SER 22 HG SER 22 -14.807 -2.636 -9.538 136 H PHE 23 H PHE 23 -14.196 -2.775 -5.312 137 HA PHE 23 HA PHE 23 -17.020 -2.541 -5.630 138 HB2 PHE 23 1HB PHE 23 -15.365 -3.819 -3.445 139 HB3 PHE 23 2HB PHE 23 -17.113 -3.967 -3.584 140 HD1 PHE 23 1HD PHE 23 -17.861 -4.700 -6.078 141 HD2 PHE 23 2HD PHE 23 -14.143 -5.591 -4.209 142 HE1 PHE 23 1HE PHE 23 -17.580 -6.637 -7.569 143 HE2 PHE 23 2HE PHE 23 -13.855 -7.529 -5.697 144 HZ PHE 23 HZ PHE 23 -15.574 -8.054 -7.380 145 HA PRO 24 HA PRO 24 -17.838 0.947 -3.075 146 HB2 PRO 24 1HB PRO 24 -20.420 0.413 -2.432 147 HB3 PRO 24 2HB PRO 24 -19.925 0.970 -4.034 148 HG2 PRO 24 1HG PRO 24 -20.529 -1.809 -3.098 149 HG3 PRO 24 2HG PRO 24 -21.003 -1.009 -4.608 150 HD2 PRO 24 1HD PRO 24 -18.932 -2.748 -4.468 151 HD3 PRO 24 2HD PRO 24 -18.951 -1.375 -5.593 152 H ASN 25 H ASN 25 -19.115 -2.134 -1.803 153 HA ASN 25 HA ASN 25 -19.273 -1.394 0.875 154 HB2 ASN 25 1HB ASN 25 -19.047 -3.882 1.323 155 HB3 ASN 25 2HB ASN 25 -20.325 -3.421 0.203 156 HD21 ASN 25 1HD2 ASN 25 -17.116 -4.784 0.476 157 HD22 ASN 25 2HD2 ASN 25 -17.118 -5.584 -1.056 158 H CYS 26 H CYS 26 -16.524 -2.168 -1.067 159 HA CYS 26 HA CYS 26 -14.782 -2.620 1.209 160 HB2 CYS 26 1HB CYS 26 -14.656 -3.050 -1.664 161 HB3 CYS 26 2HB CYS 26 -13.184 -2.303 -1.051 162 H GLY 27 H GLY 27 -14.266 -0.505 -1.602 163 HA2 GLY 27 1HA GLY 27 -13.338 1.593 -1.745 164 HA3 GLY 27 2HA GLY 27 -14.366 1.963 -0.368 165 H LYS 28 H LYS 28 -11.863 -0.452 -0.167 166 HA LYS 28 HA LYS 28 -10.499 1.189 1.830 167 HB2 LYS 28 1HB LYS 28 -10.173 -1.731 1.114 168 HB3 LYS 28 2HB LYS 28 -9.321 -0.909 2.414 169 HG2 LYS 28 1HG LYS 28 -11.478 -0.442 3.503 170 HG3 LYS 28 2HG LYS 28 -12.296 -1.337 2.220 171 HD2 LYS 28 1HD LYS 28 -11.056 -3.354 2.835 172 HD3 LYS 28 2HD LYS 28 -10.226 -2.459 4.110 173 HE2 LYS 28 1HE LYS 28 -12.110 -3.816 4.954 174 HE3 LYS 28 2HE LYS 28 -12.311 -2.092 5.268 175 HZ1 LYS 28 1HZ LYS 28 -13.798 -1.951 3.376 176 HZ2 LYS 28 2HZ LYS 28 -14.360 -3.105 4.477 177 HZ3 LYS 28 3HZ LYS 28 -13.594 -3.599 3.052 178 H TRP 29 H TRP 29 -8.317 1.692 1.740 179 HA TRP 29 HA TRP 29 -7.177 1.659 -0.951 180 HB2 TRP 29 1HB TRP 29 -6.541 3.243 1.536 181 HB3 TRP 29 2HB TRP 29 -5.495 3.258 0.119 182 HD1 TRP 29 HD TRP 29 -8.790 4.615 1.418 183 HE1 TRP 29 1HE TRP 29 -9.719 6.326 -0.266 184 HE3 TRP 29 3HE TRP 29 -5.536 3.805 -2.441 185 HZ2 TRP 29 2HZ TRP 29 -9.149 7.213 -2.884 186 HZ3 TRP 29 3HZ TRP 29 -5.796 5.126 -4.500 187 HH2 TRP 29 HH TRP 29 -7.566 6.794 -4.716 188 H ARG 30 H ARG 30 -6.195 -0.268 -1.281 189 HA ARG 30 HA ARG 30 -4.671 -1.589 0.761 190 HB2 ARG 30 1HB ARG 30 -4.801 -2.165 -2.205 191 HB3 ARG 30 2HB ARG 30 -4.166 -3.238 -0.965 192 HG2 ARG 30 1HG ARG 30 -7.009 -2.280 -0.943 193 HG3 ARG 30 2HG ARG 30 -6.500 -3.719 -1.829 194 HD2 ARG 30 1HD ARG 30 -7.028 -4.730 0.127 195 HD3 ARG 30 2HD ARG 30 -5.380 -4.257 0.537 196 HE ARG 30 HE ARG 30 -6.809 -2.128 1.344 197 HH11 ARG 30 1HH1 ARG 30 -7.178 -5.547 1.889 198 HH12 ARG 30 2HH1 ARG 30 -7.912 -5.351 3.447 199 HH21 ARG 30 1HH2 ARG 30 -7.773 -1.858 3.394 200 HH22 ARG 30 2HH2 ARG 30 -8.251 -3.253 4.301 201 H ARG 31 H ARG 31 -2.439 -1.899 0.838 202 HA ARG 31 HA ARG 31 -0.896 0.295 -0.254 203 HB2 ARG 31 1HB ARG 31 -0.388 -1.863 1.761 204 HB3 ARG 31 2HB ARG 31 0.970 -0.993 1.059 205 HG2 ARG 31 1HG ARG 31 -0.151 1.134 1.792 206 HG3 ARG 31 2HG ARG 31 -1.291 0.129 2.689 207 HD2 ARG 31 1HD ARG 31 0.941 -0.941 3.617 208 HD3 ARG 31 2HD ARG 31 1.600 0.633 3.175 209 HE ARG 31 HE ARG 31 -0.808 0.784 4.737 210 HH11 ARG 31 1HH1 ARG 31 2.661 0.505 4.841 211 HH12 ARG 31 2HH1 ARG 31 2.797 1.166 6.436 212 HH21 ARG 31 1HH2 ARG 31 -0.642 1.656 6.839 213 HH22 ARG 31 2HH2 ARG 31 0.918 1.820 7.572 214 H LEU 32 H LEU 32 1.052 0.022 -1.459 215 HA LEU 32 HA LEU 32 1.313 -2.551 -2.854 216 HB2 LEU 32 1HB LEU 32 0.987 0.176 -4.041 217 HB3 LEU 32 2HB LEU 32 1.895 -1.066 -4.902 218 HG LEU 32 HG LEU 32 -0.952 -1.454 -4.002 219 HD11 LEU 32 1HD1 LEU 32 -1.115 -1.119 -6.682 220 HD12 LEU 32 2HD1 LEU 32 0.127 0.064 -6.273 221 HD13 LEU 32 3HD1 LEU 32 -1.455 0.143 -5.498 222 HD21 LEU 32 1HD2 LEU 32 0.146 -2.823 -6.360 223 HD22 LEU 32 2HD2 LEU 32 -0.875 -3.437 -5.060 224 HD23 LEU 32 3HD2 LEU 32 0.866 -3.284 -4.818 225 H CYS 33 H CYS 33 3.410 -2.745 -4.019 226 HA CYS 33 HA CYS 33 5.572 -2.382 -2.345 227 HB2 CYS 33 1HB CYS 33 5.246 -3.005 -5.231 228 HB3 CYS 33 2HB CYS 33 6.846 -2.496 -4.705 229 HG CYS 33 HG CYS 33 6.930 -5.240 -4.769 230 H GLY 34 H GLY 34 5.133 -0.584 -5.400 231 HA2 GLY 34 1HA GLY 34 5.259 1.987 -4.581 232 HA3 GLY 34 2HA GLY 34 6.939 1.480 -4.482 233 H ASN 35 H ASN 35 6.374 -0.389 -6.820 234 HA ASN 35 HA ASN 35 6.890 1.619 -8.879 235 HB2 ASN 35 1HB ASN 35 7.525 -0.438 -10.247 236 HB3 ASN 35 2HB ASN 35 8.548 -0.073 -8.860 237 HD21 ASN 35 1HD2 ASN 35 5.720 -1.985 -9.790 238 HD22 ASN 35 2HD2 ASN 35 6.083 -3.336 -8.776 239 H ILE 36 H ILE 36 4.189 1.010 -7.789 240 HA ILE 36 HA ILE 36 2.857 -0.158 -10.119 241 HB ILE 36 HB ILE 36 1.596 0.726 -7.524 242 HG12 ILE 36 1HG1 ILE 36 3.317 -1.034 -7.174 243 HG13 ILE 36 2HG1 ILE 36 1.687 -1.590 -6.809 244 HG21 ILE 36 1HG2 ILE 36 -0.246 0.451 -8.775 245 HG22 ILE 36 2HG2 ILE 36 0.613 -0.464 -10.013 246 HG23 ILE 36 3HG2 ILE 36 0.058 -1.271 -8.547 247 HD11 ILE 36 1HD1 ILE 36 3.559 -2.801 -8.474 248 HD12 ILE 36 2HD1 ILE 36 1.860 -3.235 -8.276 249 HD13 ILE 36 3HD1 ILE 36 2.343 -2.121 -9.555 250 H ASP 37 H ASP 37 1.213 0.925 -11.246 251 HA ASP 37 HA ASP 37 0.883 3.785 -10.725 252 HB2 ASP 37 1HB ASP 37 2.562 2.813 -12.753 253 HB3 ASP 37 2HB ASP 37 1.087 3.323 -13.571 254 HA PRO 38 HA PRO 38 -3.333 2.954 -11.641 255 HB2 PRO 38 1HB PRO 38 -4.146 5.430 -12.402 256 HB3 PRO 38 2HB PRO 38 -3.792 5.009 -10.722 257 HG2 PRO 38 1HG PRO 38 -2.076 6.431 -12.720 258 HG3 PRO 38 2HG PRO 38 -2.338 6.802 -11.006 259 HD2 PRO 38 1HD PRO 38 -0.135 5.504 -11.895 260 HD3 PRO 38 2HD PRO 38 -0.849 5.190 -10.300 261 H SER 39 H SER 39 -1.495 4.782 -14.060 262 HA SER 39 HA SER 39 -3.226 4.575 -16.214 263 HB2 SER 39 1HB SER 39 -0.272 4.875 -15.932 264 HB3 SER 39 2HB SER 39 -0.911 4.477 -17.527 265 HG SER 39 HG SER 39 -0.705 6.800 -16.888 266 H VAL 40 H VAL 40 -0.638 2.334 -15.250 267 HA VAL 40 HA VAL 40 -1.275 0.438 -17.302 268 HB VAL 40 HB VAL 40 0.340 -1.029 -16.208 269 HG11 VAL 40 1HG1 VAL 40 1.660 1.626 -16.023 270 HG12 VAL 40 2HG1 VAL 40 2.182 0.156 -16.847 271 HG13 VAL 40 3HG1 VAL 40 0.926 1.169 -17.560 272 HG21 VAL 40 1HG2 VAL 40 1.509 -0.293 -14.170 273 HG22 VAL 40 2HG2 VAL 40 0.400 1.072 -14.042 274 HG23 VAL 40 3HG2 VAL 40 -0.209 -0.576 -13.889 275 H LEU 41 H LEU 41 -2.268 0.981 -14.018 276 HA LEU 41 HA LEU 41 -3.275 -1.614 -13.477 277 HB2 LEU 41 1HB LEU 41 -3.687 1.099 -12.295 278 HB3 LEU 41 2HB LEU 41 -4.720 -0.240 -11.799 279 HG LEU 41 HG LEU 41 -1.735 -0.467 -11.642 280 HD11 LEU 41 1HD1 LEU 41 -3.387 1.358 -10.149 281 HD12 LEU 41 2HD1 LEU 41 -1.638 1.137 -10.112 282 HD13 LEU 41 3HD1 LEU 41 -2.674 0.142 -9.088 283 HD21 LEU 41 1HD2 LEU 41 -2.618 -1.856 -9.594 284 HD22 LEU 41 2HD2 LEU 41 -2.626 -2.535 -11.222 285 HD23 LEU 41 3HD2 LEU 41 -4.111 -1.879 -10.532 286 HA PRO 42 HA PRO 42 -7.068 -1.698 -15.687 287 HB2 PRO 42 1HB PRO 42 -8.602 -3.188 -14.014 288 HB3 PRO 42 2HB PRO 42 -7.288 -3.873 -14.979 289 HG2 PRO 42 1HG PRO 42 -7.301 -3.070 -12.095 290 HG3 PRO 42 2HG PRO 42 -6.606 -4.516 -12.851 291 HD2 PRO 42 1HD PRO 42 -5.106 -2.373 -12.153 292 HD3 PRO 42 2HD PRO 42 -4.718 -3.396 -13.551 293 H ASP 43 H ASP 43 -9.610 -1.661 -14.979 294 HA ASP 43 HA ASP 43 -9.921 0.903 -13.575 295 HB2 ASP 43 1HB ASP 43 -11.541 -0.456 -15.718 296 HB3 ASP 43 2HB ASP 43 -12.208 0.862 -14.759 297 H ASN 44 H ASN 44 -10.827 -2.441 -13.545 298 HA ASN 44 HA ASN 44 -12.706 -1.946 -11.337 299 HB2 ASN 44 1HB ASN 44 -13.213 -3.375 -13.532 300 HB3 ASN 44 2HB ASN 44 -12.456 -4.645 -12.575 301 HD21 ASN 44 1HD2 ASN 44 -15.309 -3.148 -13.303 302 HD22 ASN 44 2HD2 ASN 44 -16.248 -3.662 -11.946 303 H TRP 45 H TRP 45 -9.854 -1.838 -10.985 304 HA TRP 45 HA TRP 45 -8.716 -4.177 -9.995 305 HB2 TRP 45 1HB TRP 45 -7.517 -2.017 -10.413 306 HB3 TRP 45 2HB TRP 45 -8.236 -1.387 -8.934 307 HD1 TRP 45 HD TRP 45 -5.422 -3.572 -10.184 308 HE1 TRP 45 1HE TRP 45 -3.967 -4.311 -8.194 309 HE3 TRP 45 3HE TRP 45 -8.416 -1.985 -6.356 310 HZ2 TRP 45 2HZ TRP 45 -4.074 -4.232 -5.375 311 HZ3 TRP 45 3HZ TRP 45 -7.667 -2.355 -4.042 312 HH2 TRP 45 HH TRP 45 -5.541 -3.457 -3.563 313 H SER 46 H SER 46 -8.543 -5.071 -7.935 314 HA SER 46 HA SER 46 -10.274 -3.999 -5.834 315 HB2 SER 46 1HB SER 46 -11.030 -6.446 -5.434 316 HB3 SER 46 2HB SER 46 -11.794 -5.538 -6.738 317 HG SER 46 HG SER 46 -10.066 -7.704 -6.850 318 H CYS 47 H CYS 47 -10.016 -5.519 -3.808 319 HA CYS 47 HA CYS 47 -7.363 -5.311 -2.952 320 HB2 CYS 47 1HB CYS 47 -9.483 -7.131 -1.795 321 HB3 CYS 47 2HB CYS 47 -8.066 -6.498 -0.963 322 H ASP 48 H ASP 48 -9.081 -7.923 -4.501 323 HA ASP 48 HA ASP 48 -7.282 -10.013 -3.907 324 HB2 ASP 48 1HB ASP 48 -9.488 -10.525 -4.735 325 HB3 ASP 48 2HB ASP 48 -9.187 -9.632 -6.223 326 H GLN 49 H GLN 49 -7.011 -7.307 -5.956 327 HA GLN 49 HA GLN 49 -4.908 -8.554 -7.569 328 HB2 GLN 49 1HB GLN 49 -6.408 -5.952 -7.827 329 HB3 GLN 49 2HB GLN 49 -4.995 -6.329 -8.804 330 HG2 GLN 49 1HG GLN 49 -6.105 -8.208 -9.792 331 HG3 GLN 49 2HG GLN 49 -7.482 -8.017 -8.709 332 HE21 GLN 49 1HE2 GLN 49 -9.168 -7.223 -9.720 333 HE22 GLN 49 2HE2 GLN 49 -9.147 -6.018 -10.957 334 H ASN 50 H ASN 50 -4.650 -7.820 -4.696 335 HA ASN 50 HA ASN 50 -2.740 -5.622 -4.753 336 HB2 ASN 50 1HB ASN 50 -4.539 -6.152 -2.903 337 HB3 ASN 50 2HB ASN 50 -3.295 -7.243 -2.299 338 HD21 ASN 50 1HD2 ASN 50 -2.508 -6.271 -0.561 339 HD22 ASN 50 2HD2 ASN 50 -1.904 -4.654 -0.503 340 H THR 51 H THR 51 -0.605 -5.858 -3.806 341 HA THR 51 HA THR 51 0.600 -8.407 -4.574 342 HB THR 51 HB THR 51 2.751 -7.235 -4.441 343 HG1 THR 51 1HG THR 51 2.547 -4.856 -4.129 344 HG21 THR 51 1HG2 THR 51 0.621 -6.637 -6.245 345 HG22 THR 51 2HG2 THR 51 2.356 -6.676 -6.560 346 HG23 THR 51 3HG2 THR 51 1.592 -5.184 -6.012 347 H ASP 52 H ASP 52 -0.194 -6.563 -1.779 348 HA ASP 52 HA ASP 52 1.633 -8.046 -0.061 349 HB2 ASP 52 1HB ASP 52 1.063 -5.540 0.175 350 HB3 ASP 52 2HB ASP 52 -0.452 -6.092 0.883 351 H VAL 53 H VAL 53 1.034 -10.046 0.457 352 HA VAL 53 HA VAL 53 -1.522 -11.122 0.314 353 HB VAL 53 HB VAL 53 -0.699 -12.972 1.678 354 HG11 VAL 53 1HG1 VAL 53 1.589 -13.226 0.351 355 HG12 VAL 53 2HG1 VAL 53 0.021 -13.361 -0.447 356 HG13 VAL 53 3HG1 VAL 53 0.929 -11.851 -0.534 357 HG21 VAL 53 1HG2 VAL 53 0.493 -11.908 3.415 358 HG22 VAL 53 2HG2 VAL 53 1.693 -12.828 2.508 359 HG23 VAL 53 3HG2 VAL 53 1.563 -11.084 2.281 360 H GLN 54 H GLN 54 -0.057 -9.205 2.798 361 HA GLN 54 HA GLN 54 -1.736 -9.937 4.952 362 HB2 GLN 54 1HB GLN 54 -0.406 -7.259 4.532 363 HB3 GLN 54 2HB GLN 54 -0.908 -7.970 6.060 364 HG2 GLN 54 1HG GLN 54 0.757 -9.880 5.281 365 HG3 GLN 54 2HG GLN 54 1.469 -8.536 4.391 366 HE21 GLN 54 1HE2 GLN 54 1.414 -10.166 7.285 367 HE22 GLN 54 2HE2 GLN 54 2.193 -8.986 8.278 368 H TYR 55 H TYR 55 -2.222 -7.965 2.177 369 HA TYR 55 HA TYR 55 -4.939 -7.388 3.071 370 HB2 TYR 55 1HB TYR 55 -3.058 -5.248 2.051 371 HB3 TYR 55 2HB TYR 55 -4.777 -5.029 2.362 372 HD1 TYR 55 2HD TYR 55 -1.494 -5.609 3.934 373 HD2 TYR 55 1HD TYR 55 -5.602 -4.711 4.584 374 HE1 TYR 55 2HE TYR 55 -0.989 -5.016 6.267 375 HE2 TYR 55 1HE TYR 55 -5.109 -4.115 6.919 376 HH TYR 55 HH TYR 55 -2.495 -4.987 8.526 377 H ASN 56 H ASN 56 -4.483 -9.304 1.319 378 HA ASN 56 HA ASN 56 -4.920 -8.115 -1.339 379 HB2 ASN 56 1HB ASN 56 -3.935 -9.978 -2.330 380 HB3 ASN 56 2HB ASN 56 -2.968 -9.778 -0.871 381 HD21 ASN 56 1HD2 ASN 56 -3.438 -11.146 0.941 382 HD22 ASN 56 2HD2 ASN 56 -4.116 -12.714 0.682 383 H ARG 57 H ARG 57 -6.867 -8.627 0.903 384 HA ARG 57 HA ARG 57 -8.798 -10.163 -0.696 385 HB2 ARG 57 1HB ARG 57 -8.485 -10.322 2.308 386 HB3 ARG 57 2HB ARG 57 -9.723 -11.135 1.359 387 HG2 ARG 57 1HG ARG 57 -7.091 -11.757 0.364 388 HG3 ARG 57 2HG ARG 57 -7.229 -12.129 2.084 389 HD2 ARG 57 1HD ARG 57 -9.311 -13.387 1.589 390 HD3 ARG 57 2HD ARG 57 -9.035 -13.096 -0.128 391 HE ARG 57 HE ARG 57 -6.817 -14.347 1.203 392 HH11 ARG 57 1HH1 ARG 57 -9.851 -14.876 -0.419 393 HH12 ARG 57 2HH1 ARG 57 -9.471 -16.502 -0.880 394 HH21 ARG 57 1HH2 ARG 57 -6.304 -16.487 0.602 395 HH22 ARG 57 2HH2 ARG 57 -7.453 -17.418 -0.298 396 H CYS 58 H CYS 58 -11.026 -9.606 -0.324 397 HA CYS 58 HA CYS 58 -11.353 -6.776 0.170 398 HB2 CYS 58 1HB CYS 58 -13.161 -8.957 -0.844 399 HB3 CYS 58 2HB CYS 58 -13.799 -7.372 -0.418 400 H ASP 59 H ASP 59 -11.205 -9.349 2.158 401 HA ASP 59 HA ASP 59 -13.351 -8.447 3.944 402 HB2 ASP 59 1HB ASP 59 -12.927 -10.933 3.282 403 HB3 ASP 59 2HB ASP 59 -11.623 -10.846 4.463 404 H ILE 60 H ILE 60 -9.921 -8.483 3.565 405 HA ILE 60 HA ILE 60 -9.188 -8.109 6.277 406 HB ILE 60 HB ILE 60 -7.716 -7.290 3.771 407 HG12 ILE 60 1HG1 ILE 60 -7.106 -9.675 5.495 408 HG13 ILE 60 2HG1 ILE 60 -8.319 -9.775 4.223 409 HG21 ILE 60 1HG2 ILE 60 -5.725 -7.220 5.182 410 HG22 ILE 60 2HG2 ILE 60 -6.937 -6.066 5.735 411 HG23 ILE 60 3HG2 ILE 60 -6.710 -7.587 6.598 412 HD11 ILE 60 1HD1 ILE 60 -6.498 -10.495 3.079 413 HD12 ILE 60 2HD1 ILE 60 -6.357 -8.763 2.776 414 HD13 ILE 60 3HD1 ILE 60 -5.375 -9.521 4.029 415 HA PRO 61 HA PRO 61 -10.503 -3.921 6.831 416 HB2 PRO 61 1HB PRO 61 -9.159 -3.442 9.141 417 HB3 PRO 61 2HB PRO 61 -10.624 -4.427 9.069 418 HG2 PRO 61 1HG PRO 61 -7.761 -5.296 9.162 419 HG3 PRO 61 2HG PRO 61 -9.158 -5.952 10.035 420 HD2 PRO 61 1HD PRO 61 -8.145 -7.126 7.815 421 HD3 PRO 61 2HD PRO 61 -9.873 -7.183 8.221 422 H GLU 62 H GLU 62 -9.548 -1.758 7.110 423 HA GLU 62 HA GLU 62 -7.218 -1.460 5.458 424 HB2 GLU 62 1HB GLU 62 -8.972 0.528 6.900 425 HB3 GLU 62 2HB GLU 62 -7.587 1.000 5.926 426 HG2 GLU 62 1HG GLU 62 -8.582 0.186 3.944 427 HG3 GLU 62 2HG GLU 62 -9.853 -0.643 4.841 428 H GLU 63 H GLU 63 -5.215 -0.638 6.023 429 HA GLU 63 HA GLU 63 -4.402 -1.158 8.743 430 HB2 GLU 63 1HB GLU 63 -2.960 -1.864 6.913 431 HB3 GLU 63 2HB GLU 63 -2.838 -0.207 6.338 432 HG2 GLU 63 1HG GLU 63 -0.880 -1.130 7.660 433 HG3 GLU 63 2HG GLU 63 -1.505 0.447 8.138 434 H THR 64 H THR 64 -4.545 0.307 10.294 435 HA THR 64 HA THR 64 -5.180 3.004 9.913 436 HB THR 64 HB THR 64 -4.510 3.303 12.309 437 HG1 THR 64 1HG THR 64 -3.923 1.332 13.414 438 HG21 THR 64 1HG2 THR 64 -6.755 2.391 11.482 439 HG22 THR 64 2HG2 THR 64 -6.339 2.103 13.172 440 HG23 THR 64 3HG2 THR 64 -6.159 0.810 11.986 441 H TRP 65 H TRP 65 -3.975 4.899 10.071 442 HA TRP 65 HA TRP 65 -1.106 4.559 9.523 443 HB2 TRP 65 1HB TRP 65 -2.234 5.666 7.713 444 HB3 TRP 65 2HB TRP 65 -3.022 6.787 8.819 445 HD1 TRP 65 HD TRP 65 -1.433 8.703 9.939 446 HE1 TRP 65 1HE TRP 65 0.717 9.808 9.054 447 HE3 TRP 65 3HE TRP 65 -0.167 5.271 6.368 448 HZ2 TRP 65 2HZ TRP 65 2.687 9.294 7.099 449 HZ3 TRP 65 3HZ TRP 65 1.865 5.652 5.033 450 HH2 TRP 65 HH TRP 65 3.261 7.623 5.393 451 H THR 66 H THR 66 0.411 5.521 10.770 452 HA THR 66 HA THR 66 -0.466 7.383 12.863 453 HB THR 66 HB THR 66 -0.367 5.228 13.969 454 HG1 THR 66 1HG THR 66 2.050 6.494 14.707 455 HG21 THR 66 1HG2 THR 66 1.660 4.650 12.173 456 HG22 THR 66 2HG2 THR 66 1.150 3.643 13.528 457 HG23 THR 66 3HG2 THR 66 2.492 4.770 13.722 458 H GLY 67 H GLY 67 0.978 8.977 13.370 459 HA2 GLY 67 1HA GLY 67 3.469 8.994 11.783 460 HA3 GLY 67 2HA GLY 67 2.562 10.435 12.220 461 H LEU 68 H LEU 68 5.398 9.420 12.728 462 HA LEU 68 HA LEU 68 5.740 8.914 15.461 463 HB2 LEU 68 1HB LEU 68 8.009 9.253 15.118 464 HB3 LEU 68 2HB LEU 68 7.423 8.732 13.540 465 HG LEU 68 HG LEU 68 7.967 11.598 14.308 466 HD11 LEU 68 1HD1 LEU 68 9.840 9.630 13.867 467 HD12 LEU 68 2HD1 LEU 68 10.094 11.365 13.690 468 HD13 LEU 68 3HD1 LEU 68 9.668 10.389 12.285 469 HD21 LEU 68 1HD2 LEU 68 6.387 11.636 12.589 470 HD22 LEU 68 2HD2 LEU 68 7.096 10.238 11.779 471 HD23 LEU 68 3HD2 LEU 68 7.932 11.792 11.752 472 H GLU 69 H GLU 69 7.242 10.603 16.739 473 HA GLU 69 HA GLU 69 5.529 12.928 17.121 474 HB2 GLU 69 1HB GLU 69 7.881 11.983 18.768 475 HB3 GLU 69 2HB GLU 69 6.737 13.239 19.216 476 HG2 GLU 69 1HG GLU 69 4.998 11.703 19.528 477 HG3 GLU 69 2HG GLU 69 5.857 10.428 18.667 Start of MODEL 11 1 H1 GLY 1 H GLY 1 29.969 11.845 15.939 2 HA2 GLY 1 1HA GLY 1 32.115 11.062 16.900 3 HA3 GLY 1 2HA GLY 1 31.274 9.575 17.311 4 H SER 2 H SER 2 30.922 8.023 15.746 5 HA SER 2 HA SER 2 32.628 8.258 13.404 6 HB2 SER 2 1HB SER 2 31.210 5.978 14.758 7 HB3 SER 2 2HB SER 2 31.843 5.793 13.122 8 HG SER 2 HG SER 2 33.900 6.365 13.936 9 H SER 3 H SER 3 29.338 6.972 13.911 10 HA SER 3 HA SER 3 28.659 7.548 11.157 11 HB2 SER 3 1HB SER 3 26.986 6.379 13.393 12 HB3 SER 3 2HB SER 3 26.508 6.466 11.698 13 HG SER 3 HG SER 3 27.361 4.444 12.066 14 H GLY 4 H GLY 4 27.788 9.387 10.479 15 HA2 GLY 4 1HA GLY 4 26.848 11.329 12.436 16 HA3 GLY 4 2HA GLY 4 27.134 11.624 10.728 17 H SER 5 H SER 5 24.948 12.748 11.535 18 HA SER 5 HA SER 5 22.727 10.889 11.034 19 HB2 SER 5 1HB SER 5 22.618 12.208 13.132 20 HB3 SER 5 2HB SER 5 22.636 13.692 12.178 21 HG SER 5 HG SER 5 20.511 12.877 12.840 22 H SER 6 H SER 6 23.537 11.027 8.731 23 HA SER 6 HA SER 6 22.089 13.188 7.371 24 HB2 SER 6 1HB SER 6 23.870 13.510 5.774 25 HB3 SER 6 2HB SER 6 24.548 13.684 7.393 26 HG SER 6 HG SER 6 25.908 12.367 6.228 27 H GLY 7 H GLY 7 20.638 12.386 6.012 28 HA2 GLY 7 1HA GLY 7 21.261 9.925 4.541 29 HA3 GLY 7 2HA GLY 7 19.798 9.963 5.514 30 H GLU 8 H GLU 8 18.037 10.328 4.360 31 HA GLU 8 HA GLU 8 17.842 12.534 2.555 32 HB2 GLU 8 1HB GLU 8 17.273 11.195 0.544 33 HB3 GLU 8 2HB GLU 8 18.954 11.030 1.031 34 HG2 GLU 8 1HG GLU 8 18.255 8.912 2.228 35 HG3 GLU 8 2HG GLU 8 16.724 9.052 1.365 36 H ILE 9 H ILE 9 15.653 12.680 1.576 37 HA ILE 9 HA ILE 9 13.678 11.575 3.440 38 HB ILE 9 HB ILE 9 12.169 13.317 2.655 39 HG12 ILE 9 1HG1 ILE 9 13.961 14.975 1.175 40 HG13 ILE 9 2HG1 ILE 9 13.949 13.380 0.432 41 HG21 ILE 9 1HG2 ILE 9 14.195 13.667 4.335 42 HG22 ILE 9 2HG2 ILE 9 14.666 14.847 3.113 43 HG23 ILE 9 3HG2 ILE 9 13.096 14.977 3.904 44 HD11 ILE 9 1HD1 ILE 9 11.967 15.462 0.348 45 HD12 ILE 9 2HD1 ILE 9 12.105 13.995 -0.622 46 HD13 ILE 9 3HD1 ILE 9 11.277 13.949 0.934 47 H SER 10 H SER 10 14.699 9.851 1.454 48 HA SER 10 HA SER 10 12.328 9.511 -0.263 49 HB2 SER 10 1HB SER 10 14.395 10.103 -1.533 50 HB3 SER 10 2HB SER 10 15.153 8.637 -0.912 51 HG SER 10 HG SER 10 12.681 8.499 -2.248 52 H GLY 11 H GLY 11 15.033 7.728 1.229 53 HA2 GLY 11 1HA GLY 11 14.640 5.901 2.736 54 HA3 GLY 11 2HA GLY 11 13.121 5.595 1.907 55 H PHE 12 H PHE 12 14.121 5.710 -0.753 56 HA PHE 12 HA PHE 12 14.997 4.349 -2.350 57 HB2 PHE 12 1HB PHE 12 17.110 5.051 -0.953 58 HB3 PHE 12 2HB PHE 12 17.088 3.365 -0.446 59 HD1 PHE 12 1HD PHE 12 17.337 5.602 -3.371 60 HD2 PHE 12 2HD PHE 12 17.836 1.648 -1.877 61 HE1 PHE 12 1HE PHE 12 18.509 4.972 -5.441 62 HE2 PHE 12 2HE PHE 12 19.010 1.012 -3.943 63 HZ PHE 12 HZ PHE 12 19.348 2.674 -5.728 64 H GLY 13 H GLY 13 13.041 3.338 -0.359 65 HA2 GLY 13 1HA GLY 13 13.681 0.459 -0.503 66 HA3 GLY 13 2HA GLY 13 12.640 1.181 0.715 67 H GLN 14 H GLN 14 10.951 2.733 -0.726 68 HA GLN 14 HA GLN 14 9.892 1.428 -3.024 69 HB2 GLN 14 1HB GLN 14 7.746 0.711 -1.976 70 HB3 GLN 14 2HB GLN 14 9.137 -0.234 -1.462 71 HG2 GLN 14 1HG GLN 14 9.246 1.067 0.610 72 HG3 GLN 14 2HG GLN 14 7.831 1.985 0.096 73 HE21 GLN 14 1HE2 GLN 14 6.882 1.239 2.087 74 HE22 GLN 14 2HE2 GLN 14 6.165 -0.332 2.159 75 H CYS 15 H CYS 15 7.538 2.290 -3.416 76 HA CYS 15 HA CYS 15 7.622 5.168 -2.835 77 HB2 CYS 15 1HB CYS 15 7.601 4.175 -5.247 78 HB3 CYS 15 2HB CYS 15 5.885 3.932 -4.948 79 HG CYS 15 HG CYS 15 6.091 6.240 -6.441 80 H LEU 16 H LEU 16 5.629 6.286 -2.398 81 HA LEU 16 HA LEU 16 3.868 4.705 -0.710 82 HB2 LEU 16 1HB LEU 16 4.406 7.612 -1.091 83 HB3 LEU 16 2HB LEU 16 2.875 7.114 -0.372 84 HG LEU 16 HG LEU 16 4.519 7.714 1.330 85 HD11 LEU 16 1HD1 LEU 16 4.239 4.744 1.499 86 HD12 LEU 16 2HD1 LEU 16 2.809 5.775 1.535 87 HD13 LEU 16 3HD1 LEU 16 4.061 5.963 2.762 88 HD21 LEU 16 1HD2 LEU 16 6.605 6.779 1.537 89 HD22 LEU 16 2HD2 LEU 16 6.438 6.828 -0.218 90 HD23 LEU 16 3HD2 LEU 16 6.160 5.319 0.653 91 H VAL 17 H VAL 17 2.962 3.576 -2.610 92 HA VAL 17 HA VAL 17 0.952 5.190 -4.031 93 HB VAL 17 HB VAL 17 0.827 3.233 -5.606 94 HG11 VAL 17 1HG1 VAL 17 2.063 4.672 -6.772 95 HG12 VAL 17 2HG1 VAL 17 2.922 5.209 -5.326 96 HG13 VAL 17 3HG1 VAL 17 3.480 3.787 -6.208 97 HG21 VAL 17 1HG2 VAL 17 2.692 1.648 -5.608 98 HG22 VAL 17 2HG2 VAL 17 3.306 2.366 -4.119 99 HG23 VAL 17 3HG2 VAL 17 1.752 1.533 -4.121 100 H TRP 18 H TRP 18 -1.166 4.787 -3.771 101 HA TRP 18 HA TRP 18 -1.956 2.347 -2.331 102 HB2 TRP 18 1HB TRP 18 -2.920 5.162 -1.792 103 HB3 TRP 18 2HB TRP 18 -3.668 3.715 -1.123 104 HD1 TRP 18 HD TRP 18 -0.173 5.411 -1.103 105 HE1 TRP 18 1HE TRP 18 0.895 4.986 1.201 106 HE3 TRP 18 3HE TRP 18 -3.816 2.470 0.950 107 HZ2 TRP 18 2HZ TRP 18 0.274 3.589 3.573 108 HZ3 TRP 18 3HZ TRP 18 -3.502 1.630 3.242 109 HH2 TRP 18 HH TRP 18 -1.498 2.178 4.524 110 H VAL 19 H VAL 19 -3.826 1.383 -3.001 111 HA VAL 19 HA VAL 19 -5.277 2.691 -5.209 112 HB VAL 19 HB VAL 19 -5.691 0.368 -6.099 113 HG11 VAL 19 1HG1 VAL 19 -3.891 2.078 -6.846 114 HG12 VAL 19 2HG1 VAL 19 -2.756 0.942 -6.114 115 HG13 VAL 19 3HG1 VAL 19 -3.801 0.419 -7.435 116 HG21 VAL 19 1HG2 VAL 19 -4.063 -1.371 -5.437 117 HG22 VAL 19 2HG2 VAL 19 -3.496 -0.313 -4.145 118 HG23 VAL 19 3HG2 VAL 19 -5.152 -0.918 -4.126 119 H GLN 20 H GLN 20 -7.440 2.754 -5.050 120 HA GLN 20 HA GLN 20 -8.655 1.605 -2.661 121 HB2 GLN 20 1HB GLN 20 -8.963 4.036 -3.447 122 HB3 GLN 20 2HB GLN 20 -10.039 3.369 -4.668 123 HG2 GLN 20 1HG GLN 20 -11.221 2.243 -2.662 124 HG3 GLN 20 2HG GLN 20 -10.372 3.454 -1.703 125 HE21 GLN 20 1HE2 GLN 20 -12.070 4.683 -1.099 126 HE22 GLN 20 2HE2 GLN 20 -13.078 5.557 -2.196 127 H CYS 21 H CYS 21 -10.064 -0.043 -2.666 128 HA CYS 21 HA CYS 21 -10.254 -1.834 -4.758 129 HB2 CYS 21 1HB CYS 21 -10.881 -2.156 -2.293 130 HB3 CYS 21 2HB CYS 21 -12.451 -1.487 -2.724 131 H SER 22 H SER 22 -12.088 -2.455 -6.083 132 HA SER 22 HA SER 22 -13.323 -0.130 -7.295 133 HB2 SER 22 1HB SER 22 -12.402 -1.740 -8.819 134 HB3 SER 22 2HB SER 22 -13.290 -3.058 -8.052 135 HG SER 22 HG SER 22 -15.023 -2.525 -9.136 136 H PHE 23 H PHE 23 -14.196 -2.739 -5.198 137 HA PHE 23 HA PHE 23 -17.027 -2.540 -5.627 138 HB2 PHE 23 1HB PHE 23 -15.440 -3.860 -3.415 139 HB3 PHE 23 2HB PHE 23 -17.180 -4.017 -3.633 140 HD1 PHE 23 1HD PHE 23 -17.850 -4.746 -6.125 141 HD2 PHE 23 2HD PHE 23 -14.137 -5.562 -4.210 142 HE1 PHE 23 1HE PHE 23 -17.489 -6.650 -7.642 143 HE2 PHE 23 2HE PHE 23 -13.770 -7.466 -5.724 144 HZ PHE 23 HZ PHE 23 -15.447 -8.012 -7.443 145 HA PRO 24 HA PRO 24 -17.916 0.882 -3.011 146 HB2 PRO 24 1HB PRO 24 -20.492 0.302 -2.383 147 HB3 PRO 24 2HB PRO 24 -20.000 0.889 -3.976 148 HG2 PRO 24 1HG PRO 24 -20.568 -1.911 -3.082 149 HG3 PRO 24 2HG PRO 24 -21.048 -1.097 -4.582 150 HD2 PRO 24 1HD PRO 24 -18.954 -2.809 -4.460 151 HD3 PRO 24 2HD PRO 24 -18.988 -1.420 -5.565 152 H ASN 25 H ASN 25 -19.155 -2.235 -1.787 153 HA ASN 25 HA ASN 25 -19.327 -1.534 0.901 154 HB2 ASN 25 1HB ASN 25 -19.225 -3.964 1.360 155 HB3 ASN 25 2HB ASN 25 -20.324 -3.581 0.037 156 HD21 ASN 25 1HD2 ASN 25 -20.120 -4.715 -1.752 157 HD22 ASN 25 2HD2 ASN 25 -18.736 -5.642 -2.213 158 H CYS 26 H CYS 26 -16.568 -2.255 -1.046 159 HA CYS 26 HA CYS 26 -14.826 -2.713 1.230 160 HB2 CYS 26 1HB CYS 26 -14.695 -3.134 -1.641 161 HB3 CYS 26 2HB CYS 26 -13.232 -2.368 -1.032 162 H GLY 27 H GLY 27 -14.329 -0.575 -1.568 163 HA2 GLY 27 1HA GLY 27 -13.413 1.529 -1.697 164 HA3 GLY 27 2HA GLY 27 -14.448 1.884 -0.322 165 H LYS 28 H LYS 28 -11.917 -0.508 -0.138 166 HA LYS 28 HA LYS 28 -10.584 1.121 1.887 167 HB2 LYS 28 1HB LYS 28 -10.219 -1.781 1.118 168 HB3 LYS 28 2HB LYS 28 -9.363 -0.971 2.424 169 HG2 LYS 28 1HG LYS 28 -11.502 -0.556 3.552 170 HG3 LYS 28 2HG LYS 28 -12.338 -1.411 2.254 171 HD2 LYS 28 1HD LYS 28 -11.159 -3.456 2.796 172 HD3 LYS 28 2HD LYS 28 -10.210 -2.614 4.024 173 HE2 LYS 28 1HE LYS 28 -12.059 -3.916 4.995 174 HE3 LYS 28 2HE LYS 28 -12.207 -2.191 5.324 175 HZ1 LYS 28 1HZ LYS 28 -14.267 -3.486 4.550 176 HZ2 LYS 28 2HZ LYS 28 -13.578 -3.391 3.008 177 HZ3 LYS 28 3HZ LYS 28 -13.957 -1.976 3.853 178 H TRP 29 H TRP 29 -8.390 1.624 1.828 179 HA TRP 29 HA TRP 29 -7.254 1.694 -0.865 180 HB2 TRP 29 1HB TRP 29 -6.680 3.214 1.670 181 HB3 TRP 29 2HB TRP 29 -5.563 3.246 0.308 182 HD1 TRP 29 HD TRP 29 -8.850 4.674 1.503 183 HE1 TRP 29 1HE TRP 29 -9.704 6.394 -0.210 184 HE3 TRP 29 3HE TRP 29 -5.554 3.744 -2.294 185 HZ2 TRP 29 2HZ TRP 29 -9.066 7.245 -2.825 186 HZ3 TRP 29 3HZ TRP 29 -5.744 5.055 -4.368 187 HH2 TRP 29 HH TRP 29 -7.465 6.768 -4.626 188 H ARG 30 H ARG 30 -6.252 -0.207 -1.268 189 HA ARG 30 HA ARG 30 -4.673 -1.540 0.745 190 HB2 ARG 30 1HB ARG 30 -4.949 -2.157 -2.202 191 HB3 ARG 30 2HB ARG 30 -4.256 -3.214 -0.980 192 HG2 ARG 30 1HG ARG 30 -7.084 -2.247 -0.780 193 HG3 ARG 30 2HG ARG 30 -6.653 -3.659 -1.747 194 HD2 ARG 30 1HD ARG 30 -7.006 -4.766 0.183 195 HD3 ARG 30 2HD ARG 30 -5.365 -4.236 0.551 196 HE ARG 30 HE ARG 30 -6.854 -2.196 1.476 197 HH11 ARG 30 1HH1 ARG 30 -7.050 -5.643 1.926 198 HH12 ARG 30 2HH1 ARG 30 -7.731 -5.528 3.515 199 HH21 ARG 30 1HH2 ARG 30 -7.751 -2.032 3.567 200 HH22 ARG 30 2HH2 ARG 30 -8.130 -3.474 4.447 201 H ARG 31 H ARG 31 -2.444 -1.827 0.739 202 HA ARG 31 HA ARG 31 -0.967 0.252 -0.699 203 HB2 ARG 31 1HB ARG 31 -0.839 -0.132 1.856 204 HB3 ARG 31 2HB ARG 31 0.172 -1.513 1.451 205 HG2 ARG 31 1HG ARG 31 1.492 0.263 0.044 206 HG3 ARG 31 2HG ARG 31 0.726 1.394 1.162 207 HD2 ARG 31 1HD ARG 31 2.142 -1.043 2.176 208 HD3 ARG 31 2HD ARG 31 3.046 0.411 1.753 209 HE ARG 31 HE ARG 31 0.930 1.124 3.448 210 HH11 ARG 31 1HH1 ARG 31 3.938 -0.628 3.522 211 HH12 ARG 31 2HH1 ARG 31 4.236 -0.304 5.198 212 HH21 ARG 31 1HH2 ARG 31 1.311 1.557 5.655 213 HH22 ARG 31 2HH2 ARG 31 2.741 0.938 6.410 214 H LEU 32 H LEU 32 0.106 -0.263 -2.478 215 HA LEU 32 HA LEU 32 0.591 -3.039 -3.149 216 HB2 LEU 32 1HB LEU 32 1.109 -0.478 -4.649 217 HB3 LEU 32 2HB LEU 32 1.437 -2.086 -5.290 218 HG LEU 32 HG LEU 32 -1.313 -1.214 -4.437 219 HD11 LEU 32 1HD1 LEU 32 -0.634 0.334 -6.139 220 HD12 LEU 32 2HD1 LEU 32 -1.744 -0.837 -6.851 221 HD13 LEU 32 3HD1 LEU 32 -0.010 -0.975 -7.143 222 HD21 LEU 32 1HD2 LEU 32 -1.947 -3.256 -5.045 223 HD22 LEU 32 2HD2 LEU 32 -0.239 -3.684 -5.135 224 HD23 LEU 32 3HD2 LEU 32 -1.089 -3.136 -6.580 225 H CYS 33 H CYS 33 2.814 -3.358 -4.379 226 HA CYS 33 HA CYS 33 4.818 -3.477 -2.477 227 HB2 CYS 33 1HB CYS 33 4.848 -4.833 -4.507 228 HB3 CYS 33 2HB CYS 33 5.099 -3.395 -5.488 229 HG CYS 33 HG CYS 33 7.381 -5.307 -4.710 230 H GLY 34 H GLY 34 4.923 -1.329 -5.329 231 HA2 GLY 34 1HA GLY 34 5.283 1.100 -4.180 232 HA3 GLY 34 2HA GLY 34 6.873 0.364 -4.040 233 H ASN 35 H ASN 35 6.499 -1.130 -6.573 234 HA ASN 35 HA ASN 35 7.194 1.081 -8.362 235 HB2 ASN 35 1HB ASN 35 8.200 -0.645 -9.792 236 HB3 ASN 35 2HB ASN 35 8.831 -0.735 -8.151 237 HD21 ASN 35 1HD2 ASN 35 8.054 -2.404 -6.768 238 HD22 ASN 35 2HD2 ASN 35 7.443 -3.876 -7.436 239 H ILE 36 H ILE 36 4.499 0.904 -7.848 240 HA ILE 36 HA ILE 36 3.471 0.013 -10.456 241 HB ILE 36 HB ILE 36 2.016 -0.304 -7.828 242 HG12 ILE 36 1HG1 ILE 36 2.168 -2.796 -8.751 243 HG13 ILE 36 2HG1 ILE 36 3.617 -2.162 -9.525 244 HG21 ILE 36 1HG2 ILE 36 0.307 -1.442 -9.155 245 HG22 ILE 36 2HG2 ILE 36 0.522 0.228 -9.677 246 HG23 ILE 36 3HG2 ILE 36 1.213 -1.088 -10.626 247 HD11 ILE 36 1HD1 ILE 36 4.638 -1.696 -7.473 248 HD12 ILE 36 2HD1 ILE 36 3.120 -1.849 -6.587 249 HD13 ILE 36 3HD1 ILE 36 3.893 -3.281 -7.268 250 H ASP 37 H ASP 37 1.971 1.332 -11.416 251 HA ASP 37 HA ASP 37 1.380 3.855 -10.010 252 HB2 ASP 37 1HB ASP 37 2.688 3.427 -12.490 253 HB3 ASP 37 2HB ASP 37 1.118 4.141 -12.849 254 HA PRO 38 HA PRO 38 -2.910 3.044 -10.481 255 HB2 PRO 38 1HB PRO 38 -3.877 5.576 -10.625 256 HB3 PRO 38 2HB PRO 38 -3.268 4.865 -9.126 257 HG2 PRO 38 1HG PRO 38 -1.898 6.719 -11.037 258 HG3 PRO 38 2HG PRO 38 -1.909 6.747 -9.264 259 HD2 PRO 38 1HD PRO 38 0.163 5.747 -10.693 260 HD3 PRO 38 2HD PRO 38 -0.298 5.106 -9.103 261 H SER 39 H SER 39 -1.567 5.464 -12.712 262 HA SER 39 HA SER 39 -3.620 5.424 -14.606 263 HB2 SER 39 1HB SER 39 -0.806 5.753 -15.540 264 HB3 SER 39 2HB SER 39 -2.236 6.712 -15.920 265 HG SER 39 HG SER 39 -2.100 7.626 -13.847 266 H VAL 40 H VAL 40 -1.070 3.167 -13.973 267 HA VAL 40 HA VAL 40 -1.644 1.716 -16.460 268 HB VAL 40 HB VAL 40 0.367 0.416 -16.008 269 HG11 VAL 40 1HG1 VAL 40 1.933 2.056 -16.563 270 HG12 VAL 40 2HG1 VAL 40 0.398 2.740 -17.102 271 HG13 VAL 40 3HG1 VAL 40 1.126 3.287 -15.591 272 HG21 VAL 40 1HG2 VAL 40 0.213 0.436 -13.551 273 HG22 VAL 40 2HG2 VAL 40 1.815 0.903 -14.122 274 HG23 VAL 40 3HG2 VAL 40 0.691 2.134 -13.548 275 H LEU 41 H LEU 41 -3.426 1.786 -14.103 276 HA LEU 41 HA LEU 41 -3.435 -1.098 -13.495 277 HB2 LEU 41 1HB LEU 41 -4.019 1.270 -11.767 278 HB3 LEU 41 2HB LEU 41 -4.801 -0.274 -11.434 279 HG LEU 41 HG LEU 41 -1.813 -0.039 -11.630 280 HD11 LEU 41 1HD1 LEU 41 -3.598 0.898 -9.486 281 HD12 LEU 41 2HD1 LEU 41 -1.944 1.366 -9.877 282 HD13 LEU 41 3HD1 LEU 41 -2.250 -0.117 -8.973 283 HD21 LEU 41 1HD2 LEU 41 -3.522 -1.946 -10.050 284 HD22 LEU 41 2HD2 LEU 41 -1.803 -2.074 -10.419 285 HD23 LEU 41 3HD2 LEU 41 -2.997 -2.264 -11.703 286 HA PRO 42 HA PRO 42 -7.459 -1.351 -15.232 287 HB2 PRO 42 1HB PRO 42 -8.578 -3.281 -13.685 288 HB3 PRO 42 2HB PRO 42 -7.333 -3.620 -14.892 289 HG2 PRO 42 1HG PRO 42 -7.059 -3.293 -11.929 290 HG3 PRO 42 2HG PRO 42 -6.308 -4.493 -12.997 291 HD2 PRO 42 1HD PRO 42 -4.985 -2.304 -12.107 292 HD3 PRO 42 2HD PRO 42 -4.669 -3.031 -13.695 293 H ASP 43 H ASP 43 -9.481 -0.498 -15.006 294 HA ASP 43 HA ASP 43 -9.979 1.238 -12.817 295 HB2 ASP 43 1HB ASP 43 -11.594 0.360 -15.197 296 HB3 ASP 43 2HB ASP 43 -12.309 1.370 -13.943 297 H ASN 44 H ASN 44 -10.820 -2.052 -13.504 298 HA ASN 44 HA ASN 44 -12.766 -2.108 -11.317 299 HB2 ASN 44 1HB ASN 44 -13.209 -4.441 -12.123 300 HB3 ASN 44 2HB ASN 44 -13.529 -3.194 -13.324 301 HD21 ASN 44 1HD2 ASN 44 -13.171 -4.230 -15.179 302 HD22 ASN 44 2HD2 ASN 44 -11.688 -5.004 -15.612 303 H TRP 45 H TRP 45 -9.931 -1.759 -10.802 304 HA TRP 45 HA TRP 45 -8.753 -4.189 -9.953 305 HB2 TRP 45 1HB TRP 45 -7.487 -2.090 -10.390 306 HB3 TRP 45 2HB TRP 45 -8.198 -1.394 -8.937 307 HD1 TRP 45 HD TRP 45 -5.391 -3.608 -10.098 308 HE1 TRP 45 1HE TRP 45 -3.987 -4.355 -8.074 309 HE3 TRP 45 3HE TRP 45 -8.475 -2.023 -6.341 310 HZ2 TRP 45 2HZ TRP 45 -4.164 -4.283 -5.258 311 HZ3 TRP 45 3HZ TRP 45 -7.785 -2.401 -4.010 312 HH2 TRP 45 HH TRP 45 -5.674 -3.509 -3.481 313 H SER 46 H SER 46 -8.632 -5.145 -7.940 314 HA SER 46 HA SER 46 -10.291 -4.023 -5.798 315 HB2 SER 46 1HB SER 46 -11.047 -6.477 -5.388 316 HB3 SER 46 2HB SER 46 -11.838 -5.550 -6.662 317 HG SER 46 HG SER 46 -9.782 -7.481 -6.956 318 H CYS 47 H CYS 47 -10.031 -5.590 -3.785 319 HA CYS 47 HA CYS 47 -7.372 -5.378 -2.941 320 HB2 CYS 47 1HB CYS 47 -9.495 -7.204 -1.798 321 HB3 CYS 47 2HB CYS 47 -8.062 -6.610 -0.966 322 H ASP 48 H ASP 48 -9.088 -7.971 -4.520 323 HA ASP 48 HA ASP 48 -7.293 -10.070 -3.955 324 HB2 ASP 48 1HB ASP 48 -9.526 -10.510 -4.818 325 HB3 ASP 48 2HB ASP 48 -9.140 -9.670 -6.318 326 H GLN 49 H GLN 49 -7.018 -7.337 -5.973 327 HA GLN 49 HA GLN 49 -4.882 -8.560 -7.564 328 HB2 GLN 49 1HB GLN 49 -6.414 -5.980 -7.860 329 HB3 GLN 49 2HB GLN 49 -4.994 -6.358 -8.826 330 HG2 GLN 49 1HG GLN 49 -6.089 -8.269 -9.783 331 HG3 GLN 49 2HG GLN 49 -7.479 -8.050 -8.722 332 HE21 GLN 49 1HE2 GLN 49 -9.152 -7.232 -9.734 333 HE22 GLN 49 2HE2 GLN 49 -9.110 -6.071 -11.011 334 H ASN 50 H ASN 50 -4.574 -7.915 -4.730 335 HA ASN 50 HA ASN 50 -2.726 -5.649 -4.772 336 HB2 ASN 50 1HB ASN 50 -4.553 -6.193 -2.938 337 HB3 ASN 50 2HB ASN 50 -3.282 -7.230 -2.297 338 HD21 ASN 50 1HD2 ASN 50 -2.441 -6.228 -0.617 339 HD22 ASN 50 2HD2 ASN 50 -1.929 -4.578 -0.573 340 H THR 51 H THR 51 -0.589 -5.844 -3.891 341 HA THR 51 HA THR 51 0.634 -8.402 -4.571 342 HB THR 51 HB THR 51 2.758 -7.243 -4.524 343 HG1 THR 51 1HG THR 51 3.005 -5.420 -3.467 344 HG21 THR 51 1HG2 THR 51 2.450 -6.224 -6.511 345 HG22 THR 51 2HG2 THR 51 1.208 -5.144 -5.877 346 HG23 THR 51 3HG2 THR 51 0.789 -6.792 -6.347 347 H ASP 52 H ASP 52 -0.192 -6.517 -1.811 348 HA ASP 52 HA ASP 52 1.635 -7.950 -0.055 349 HB2 ASP 52 1HB ASP 52 1.132 -5.487 0.208 350 HB3 ASP 52 2HB ASP 52 -0.488 -5.947 0.725 351 H VAL 53 H VAL 53 1.073 -9.947 0.505 352 HA VAL 53 HA VAL 53 -1.457 -11.082 0.341 353 HB VAL 53 HB VAL 53 -0.617 -12.889 1.748 354 HG11 VAL 53 1HG1 VAL 53 0.891 -11.794 -0.517 355 HG12 VAL 53 2HG1 VAL 53 1.776 -12.967 0.460 356 HG13 VAL 53 3HG1 VAL 53 0.230 -13.409 -0.266 357 HG21 VAL 53 1HG2 VAL 53 1.628 -12.749 2.751 358 HG22 VAL 53 2HG2 VAL 53 1.715 -11.050 2.285 359 HG23 VAL 53 3HG2 VAL 53 0.508 -11.583 3.455 360 H GLN 54 H GLN 54 -0.078 -9.080 2.806 361 HA GLN 54 HA GLN 54 -1.784 -9.809 4.944 362 HB2 GLN 54 1HB GLN 54 -0.427 -7.150 4.477 363 HB3 GLN 54 2HB GLN 54 -1.033 -7.761 6.010 364 HG2 GLN 54 1HG GLN 54 0.639 -9.747 5.407 365 HG3 GLN 54 2HG GLN 54 1.436 -8.438 4.536 366 HE21 GLN 54 1HE2 GLN 54 2.993 -9.308 6.328 367 HE22 GLN 54 2HE2 GLN 54 3.000 -8.375 7.782 368 H TYR 55 H TYR 55 -2.231 -7.868 2.136 369 HA TYR 55 HA TYR 55 -4.972 -7.311 2.969 370 HB2 TYR 55 1HB TYR 55 -3.183 -5.151 1.842 371 HB3 TYR 55 2HB TYR 55 -4.862 -4.976 2.339 372 HD1 TYR 55 1HD TYR 55 -1.425 -5.560 3.573 373 HD2 TYR 55 2HD TYR 55 -5.434 -4.579 4.608 374 HE1 TYR 55 1HE TYR 55 -0.684 -4.947 5.836 375 HE2 TYR 55 2HE TYR 55 -4.703 -3.962 6.874 376 HH TYR 55 HH TYR 55 -1.296 -3.889 7.751 377 H ASN 56 H ASN 56 -4.437 -9.259 1.257 378 HA ASN 56 HA ASN 56 -4.856 -8.127 -1.428 379 HB2 ASN 56 1HB ASN 56 -3.825 -9.990 -2.366 380 HB3 ASN 56 2HB ASN 56 -2.891 -9.756 -0.891 381 HD21 ASN 56 1HD2 ASN 56 -3.369 -11.107 0.927 382 HD22 ASN 56 2HD2 ASN 56 -4.027 -12.685 0.680 383 H ARG 57 H ARG 57 -6.826 -8.643 0.803 384 HA ARG 57 HA ARG 57 -8.730 -10.181 -0.820 385 HB2 ARG 57 1HB ARG 57 -8.397 -10.438 2.175 386 HB3 ARG 57 2HB ARG 57 -9.636 -11.228 1.210 387 HG2 ARG 57 1HG ARG 57 -6.996 -11.786 0.185 388 HG3 ARG 57 2HG ARG 57 -7.144 -12.239 1.884 389 HD2 ARG 57 1HD ARG 57 -9.238 -13.462 1.297 390 HD3 ARG 57 2HD ARG 57 -8.901 -13.123 -0.399 391 HE ARG 57 HE ARG 57 -6.705 -14.396 0.908 392 HH11 ARG 57 1HH1 ARG 57 -9.794 -14.960 -0.595 393 HH12 ARG 57 2HH1 ARG 57 -9.428 -16.596 -1.034 394 HH21 ARG 57 1HH2 ARG 57 -6.211 -16.548 0.336 395 HH22 ARG 57 2HH2 ARG 57 -7.391 -17.498 -0.502 396 H CYS 58 H CYS 58 -10.970 -9.676 -0.401 397 HA CYS 58 HA CYS 58 -11.331 -6.866 0.180 398 HB2 CYS 58 1HB CYS 58 -13.114 -9.038 -0.894 399 HB3 CYS 58 2HB CYS 58 -13.773 -7.478 -0.413 400 H ASP 59 H ASP 59 -11.138 -9.503 2.080 401 HA ASP 59 HA ASP 59 -13.283 -8.688 3.908 402 HB2 ASP 59 1HB ASP 59 -12.802 -11.150 3.152 403 HB3 ASP 59 2HB ASP 59 -11.530 -11.075 4.368 404 H ILE 60 H ILE 60 -9.864 -8.635 3.496 405 HA ILE 60 HA ILE 60 -9.142 -8.326 6.234 406 HB ILE 60 HB ILE 60 -7.634 -7.499 3.750 407 HG12 ILE 60 1HG1 ILE 60 -7.120 -9.930 5.450 408 HG13 ILE 60 2HG1 ILE 60 -8.268 -9.974 4.116 409 HG21 ILE 60 1HG2 ILE 60 -5.940 -8.125 5.946 410 HG22 ILE 60 2HG2 ILE 60 -6.110 -6.597 5.084 411 HG23 ILE 60 3HG2 ILE 60 -7.132 -6.939 6.480 412 HD11 ILE 60 1HD1 ILE 60 -6.439 -10.671 3.000 413 HD12 ILE 60 2HD1 ILE 60 -6.172 -8.935 2.837 414 HD13 ILE 60 3HD1 ILE 60 -5.322 -9.844 4.086 415 HA PRO 61 HA PRO 61 -10.516 -4.129 6.711 416 HB2 PRO 61 1HB PRO 61 -9.441 -3.738 9.173 417 HB3 PRO 61 2HB PRO 61 -10.913 -4.680 8.906 418 HG2 PRO 61 1HG PRO 61 -8.104 -5.631 9.312 419 HG3 PRO 61 2HG PRO 61 -9.610 -6.266 9.999 420 HD2 PRO 61 1HD PRO 61 -8.373 -7.420 7.885 421 HD3 PRO 61 2HD PRO 61 -10.137 -7.437 8.085 422 H GLU 62 H GLU 62 -9.594 -2.011 6.941 423 HA GLU 62 HA GLU 62 -7.069 -1.746 5.650 424 HB2 GLU 62 1HB GLU 62 -8.766 0.357 7.009 425 HB3 GLU 62 2HB GLU 62 -7.418 0.671 5.925 426 HG2 GLU 62 1HG GLU 62 -8.584 -0.112 4.057 427 HG3 GLU 62 2HG GLU 62 -9.795 -0.925 5.046 428 H GLU 63 H GLU 63 -5.255 -0.475 6.494 429 HA GLU 63 HA GLU 63 -4.222 -1.522 8.857 430 HB2 GLU 63 1HB GLU 63 -3.135 -0.178 6.827 431 HB3 GLU 63 2HB GLU 63 -3.273 1.154 7.966 432 HG2 GLU 63 1HG GLU 63 -1.911 0.019 9.565 433 HG3 GLU 63 2HG GLU 63 -1.912 -1.452 8.595 434 H THR 64 H THR 64 -3.457 -0.168 10.748 435 HA THR 64 HA THR 64 -5.754 1.324 11.780 436 HB THR 64 HB THR 64 -4.244 1.132 13.953 437 HG1 THR 64 1HG THR 64 -3.481 -1.229 12.579 438 HG21 THR 64 1HG2 THR 64 -5.522 -1.427 13.096 439 HG22 THR 64 2HG2 THR 64 -6.519 0.020 13.245 440 HG23 THR 64 3HG2 THR 64 -5.623 -0.581 14.640 441 H TRP 65 H TRP 65 -5.607 3.421 11.219 442 HA TRP 65 HA TRP 65 -3.045 4.789 11.271 443 HB2 TRP 65 1HB TRP 65 -5.823 5.637 10.451 444 HB3 TRP 65 2HB TRP 65 -4.467 6.761 10.512 445 HD1 TRP 65 HD TRP 65 -2.290 4.682 9.277 446 HE1 TRP 65 1HE TRP 65 -2.378 4.200 6.750 447 HE3 TRP 65 3HE TRP 65 -7.112 6.105 8.346 448 HZ2 TRP 65 2HZ TRP 65 -4.244 4.397 4.641 449 HZ3 TRP 65 3HZ TRP 65 -7.971 5.927 6.047 450 HH2 TRP 65 HH TRP 65 -6.565 5.091 4.235 451 H THR 66 H THR 66 -2.810 4.463 13.616 452 HA THR 66 HA THR 66 -4.304 6.498 15.141 453 HB THR 66 HB THR 66 -3.036 4.046 16.358 454 HG1 THR 66 1HG THR 66 -4.995 3.040 16.196 455 HG21 THR 66 1HG2 THR 66 -3.660 6.198 17.679 456 HG22 THR 66 2HG2 THR 66 -4.139 4.626 18.317 457 HG23 THR 66 3HG2 THR 66 -5.318 5.632 17.475 458 H GLY 67 H GLY 67 -1.192 4.825 14.796 459 HA2 GLY 67 1HA GLY 67 0.845 6.117 14.695 460 HA3 GLY 67 2HA GLY 67 0.113 7.269 15.802 461 H LEU 68 H LEU 68 0.270 3.730 16.004 462 HA LEU 68 HA LEU 68 1.714 4.044 18.553 463 HB2 LEU 68 1HB LEU 68 -0.595 3.156 18.728 464 HB3 LEU 68 2HB LEU 68 -0.110 1.792 17.723 465 HG LEU 68 HG LEU 68 1.686 1.468 19.631 466 HD11 LEU 68 1HD1 LEU 68 0.576 3.638 20.684 467 HD12 LEU 68 2HD1 LEU 68 1.227 2.335 21.678 468 HD13 LEU 68 3HD1 LEU 68 -0.507 2.430 21.376 469 HD21 LEU 68 1HD2 LEU 68 0.053 -0.194 18.999 470 HD22 LEU 68 2HD2 LEU 68 -1.220 0.688 19.844 471 HD23 LEU 68 3HD2 LEU 68 0.098 -0.051 20.756 472 H GLU 69 H GLU 69 3.629 3.061 18.785 473 HA GLU 69 HA GLU 69 4.748 1.666 16.513 474 HB2 GLU 69 1HB GLU 69 5.980 2.342 19.190 475 HB3 GLU 69 2HB GLU 69 6.845 1.715 17.795 476 HG2 GLU 69 1HG GLU 69 6.448 3.709 16.555 477 HG3 GLU 69 2HG GLU 69 5.342 4.318 17.785 Start of MODEL 12 1 H1 GLY 1 H GLY 1 31.276 -9.129 -21.619 2 HA2 GLY 1 1HA GLY 1 33.602 -7.860 -20.842 3 HA3 GLY 1 2HA GLY 1 33.347 -7.384 -22.515 4 H SER 2 H SER 2 32.420 -6.915 -19.254 5 HA SER 2 HA SER 2 30.988 -5.477 -18.221 6 HB2 SER 2 1HB SER 2 31.416 -3.979 -20.814 7 HB3 SER 2 2HB SER 2 30.607 -3.295 -19.404 8 HG SER 2 HG SER 2 32.497 -3.430 -18.262 9 H SER 3 H SER 3 29.743 -7.647 -19.436 10 HA SER 3 HA SER 3 27.255 -6.480 -20.496 11 HB2 SER 3 1HB SER 3 26.820 -8.585 -21.587 12 HB3 SER 3 2HB SER 3 28.470 -8.102 -21.980 13 HG SER 3 HG SER 3 29.202 -9.544 -20.377 14 H GLY 4 H GLY 4 25.240 -7.569 -19.861 15 HA2 GLY 4 1HA GLY 4 24.583 -9.397 -18.101 16 HA3 GLY 4 2HA GLY 4 25.340 -8.245 -17.011 17 H SER 5 H SER 5 23.264 -8.153 -15.945 18 HA SER 5 HA SER 5 21.507 -6.184 -17.224 19 HB2 SER 5 1HB SER 5 20.687 -8.840 -16.071 20 HB3 SER 5 2HB SER 5 19.558 -7.487 -16.124 21 HG SER 5 HG SER 5 20.821 -8.806 -18.284 22 H SER 6 H SER 6 19.830 -5.403 -15.516 23 HA SER 6 HA SER 6 21.341 -4.829 -13.060 24 HB2 SER 6 1HB SER 6 20.875 -2.782 -14.114 25 HB3 SER 6 2HB SER 6 19.253 -3.289 -14.587 26 HG SER 6 HG SER 6 18.781 -2.125 -12.869 27 H GLY 7 H GLY 7 17.880 -4.909 -13.933 28 HA2 GLY 7 1HA GLY 7 16.424 -6.624 -12.996 29 HA3 GLY 7 2HA GLY 7 17.432 -6.602 -11.556 30 H GLU 8 H GLU 8 16.082 -5.968 -9.982 31 HA GLU 8 HA GLU 8 14.035 -4.014 -10.383 32 HB2 GLU 8 1HB GLU 8 15.119 -5.027 -7.752 33 HB3 GLU 8 2HB GLU 8 13.551 -4.286 -8.040 34 HG2 GLU 8 1HG GLU 8 14.508 -7.004 -8.858 35 HG3 GLU 8 2HG GLU 8 13.132 -6.579 -7.842 36 H ILE 9 H ILE 9 13.861 -2.049 -9.000 37 HA ILE 9 HA ILE 9 16.338 -0.537 -9.189 38 HB ILE 9 HB ILE 9 13.561 0.397 -8.452 39 HG12 ILE 9 1HG1 ILE 9 13.702 -0.460 -10.754 40 HG13 ILE 9 2HG1 ILE 9 13.470 1.284 -10.734 41 HG21 ILE 9 1HG2 ILE 9 16.139 1.856 -8.942 42 HG22 ILE 9 2HG2 ILE 9 14.570 2.645 -9.094 43 HG23 ILE 9 3HG2 ILE 9 15.065 1.957 -7.548 44 HD11 ILE 9 1HD1 ILE 9 16.033 -0.195 -11.263 45 HD12 ILE 9 2HD1 ILE 9 15.070 0.727 -12.418 46 HD13 ILE 9 3HD1 ILE 9 15.903 1.556 -11.103 47 H SER 10 H SER 10 17.581 -1.240 -7.470 48 HA SER 10 HA SER 10 16.465 -0.892 -4.775 49 HB2 SER 10 1HB SER 10 19.080 -2.221 -5.504 50 HB3 SER 10 2HB SER 10 18.211 -2.322 -3.973 51 HG SER 10 HG SER 10 17.790 -3.674 -6.345 52 H GLY 11 H GLY 11 17.081 1.423 -6.228 53 HA2 GLY 11 1HA GLY 11 19.658 2.341 -5.179 54 HA3 GLY 11 2HA GLY 11 18.664 3.182 -6.358 55 H PHE 12 H PHE 12 17.881 5.019 -5.598 56 HA PHE 12 HA PHE 12 17.053 5.122 -2.772 57 HB2 PHE 12 1HB PHE 12 17.739 7.458 -2.699 58 HB3 PHE 12 2HB PHE 12 19.097 6.449 -3.184 59 HD1 PHE 12 1HD PHE 12 19.779 6.384 -5.580 60 HD2 PHE 12 2HD PHE 12 16.917 9.164 -4.098 61 HE1 PHE 12 1HE PHE 12 20.101 7.777 -7.582 62 HE2 PHE 12 2HE PHE 12 17.233 10.561 -6.098 63 HZ PHE 12 HZ PHE 12 18.826 9.868 -7.844 64 H GLY 13 H GLY 13 15.304 6.597 -2.281 65 HA2 GLY 13 1HA GLY 13 13.541 8.064 -3.035 66 HA3 GLY 13 2HA GLY 13 13.634 7.288 -4.609 67 H GLN 14 H GLN 14 12.319 7.144 -1.414 68 HA GLN 14 HA GLN 14 11.063 4.561 -1.887 69 HB2 GLN 14 1HB GLN 14 11.334 6.385 0.465 70 HB3 GLN 14 2HB GLN 14 10.025 5.210 0.446 71 HG2 GLN 14 1HG GLN 14 12.840 4.358 -0.083 72 HG3 GLN 14 2HG GLN 14 12.261 4.592 1.565 73 HE21 GLN 14 1HE2 GLN 14 12.388 2.461 2.145 74 HE22 GLN 14 2HE2 GLN 14 11.352 1.239 1.497 75 H CYS 15 H CYS 15 9.355 4.609 -3.205 76 HA CYS 15 HA CYS 15 7.442 6.827 -2.955 77 HB2 CYS 15 1HB CYS 15 7.764 4.824 -5.200 78 HB3 CYS 15 2HB CYS 15 6.643 6.180 -5.182 79 HG CYS 15 HG CYS 15 8.428 8.131 -5.574 80 H LEU 16 H LEU 16 5.511 6.475 -2.079 81 HA LEU 16 HA LEU 16 4.606 3.687 -1.778 82 HB2 LEU 16 1HB LEU 16 5.245 4.769 0.341 83 HB3 LEU 16 2HB LEU 16 4.052 6.030 0.037 84 HG LEU 16 HG LEU 16 2.272 4.304 0.152 85 HD11 LEU 16 1HD1 LEU 16 2.726 2.102 0.916 86 HD12 LEU 16 2HD1 LEU 16 4.425 2.479 1.196 87 HD13 LEU 16 3HD1 LEU 16 3.798 2.405 -0.451 88 HD21 LEU 16 1HD2 LEU 16 4.093 4.815 2.477 89 HD22 LEU 16 2HD2 LEU 16 2.628 3.849 2.661 90 HD23 LEU 16 3HD2 LEU 16 2.518 5.524 2.118 91 H VAL 17 H VAL 17 2.901 3.230 -2.988 92 HA VAL 17 HA VAL 17 0.996 5.389 -3.619 93 HB VAL 17 HB VAL 17 0.342 3.926 -5.575 94 HG11 VAL 17 1HG1 VAL 17 2.683 4.448 -6.732 95 HG12 VAL 17 2HG1 VAL 17 1.530 5.718 -6.317 96 HG13 VAL 17 3HG1 VAL 17 2.901 5.388 -5.257 97 HG21 VAL 17 1HG2 VAL 17 1.290 1.941 -5.927 98 HG22 VAL 17 2HG2 VAL 17 2.912 2.598 -5.711 99 HG23 VAL 17 3HG2 VAL 17 1.979 2.075 -4.309 100 H TRP 18 H TRP 18 -1.248 4.855 -3.709 101 HA TRP 18 HA TRP 18 -1.991 2.392 -2.284 102 HB2 TRP 18 1HB TRP 18 -3.082 5.163 -1.748 103 HB3 TRP 18 2HB TRP 18 -3.707 3.677 -1.039 104 HD1 TRP 18 HD TRP 18 -0.376 5.667 -1.110 105 HE1 TRP 18 1HE TRP 18 0.791 5.335 1.160 106 HE3 TRP 18 3HE TRP 18 -3.667 2.387 1.021 107 HZ2 TRP 18 2HZ TRP 18 0.372 3.875 3.539 108 HZ3 TRP 18 3HZ TRP 18 -3.211 1.570 3.297 109 HH2 TRP 18 HH TRP 18 -1.232 2.299 4.528 110 H VAL 19 H VAL 19 -3.814 1.378 -2.993 111 HA VAL 19 HA VAL 19 -5.275 2.667 -5.206 112 HB VAL 19 HB VAL 19 -5.659 0.308 -6.060 113 HG11 VAL 19 1HG1 VAL 19 -2.807 1.289 -6.067 114 HG12 VAL 19 2HG1 VAL 19 -3.572 0.252 -7.274 115 HG13 VAL 19 3HG1 VAL 19 -4.098 1.926 -7.087 116 HG21 VAL 19 1HG2 VAL 19 -3.404 -0.266 -4.140 117 HG22 VAL 19 2HG2 VAL 19 -5.038 -0.927 -4.076 118 HG23 VAL 19 3HG2 VAL 19 -3.962 -1.365 -5.402 119 H GLN 20 H GLN 20 -7.423 2.775 -5.005 120 HA GLN 20 HA GLN 20 -8.652 1.589 -2.648 121 HB2 GLN 20 1HB GLN 20 -8.980 4.013 -3.378 122 HB3 GLN 20 2HB GLN 20 -9.989 3.379 -4.671 123 HG2 GLN 20 1HG GLN 20 -11.352 2.243 -2.872 124 HG3 GLN 20 2HG GLN 20 -10.456 3.221 -1.711 125 HE21 GLN 20 1HE2 GLN 20 -12.190 4.404 -1.020 126 HE22 GLN 20 2HE2 GLN 20 -13.010 5.555 -2.013 127 H CYS 21 H CYS 21 -10.065 -0.058 -2.666 128 HA CYS 21 HA CYS 21 -10.230 -1.848 -4.763 129 HB2 CYS 21 1HB CYS 21 -10.871 -2.178 -2.303 130 HB3 CYS 21 2HB CYS 21 -12.441 -1.514 -2.742 131 H SER 22 H SER 22 -12.053 -2.473 -6.102 132 HA SER 22 HA SER 22 -13.285 -0.152 -7.322 133 HB2 SER 22 1HB SER 22 -12.469 -1.642 -8.934 134 HB3 SER 22 2HB SER 22 -13.059 -3.057 -8.063 135 HG SER 22 HG SER 22 -15.101 -2.632 -8.740 136 H PHE 23 H PHE 23 -14.171 -2.755 -5.222 137 HA PHE 23 HA PHE 23 -16.999 -2.552 -5.664 138 HB2 PHE 23 1HB PHE 23 -15.424 -3.871 -3.444 139 HB3 PHE 23 2HB PHE 23 -17.163 -4.025 -3.667 140 HD1 PHE 23 2HD PHE 23 -17.813 -4.743 -6.178 141 HD2 PHE 23 1HD PHE 23 -14.133 -5.591 -4.216 142 HE1 PHE 23 2HE PHE 23 -17.451 -6.649 -7.690 143 HE2 PHE 23 1HE PHE 23 -13.763 -7.498 -5.726 144 HZ PHE 23 HZ PHE 23 -15.424 -8.030 -7.465 145 HA PRO 24 HA PRO 24 -17.892 0.876 -3.057 146 HB2 PRO 24 1HB PRO 24 -20.473 0.303 -2.442 147 HB3 PRO 24 2HB PRO 24 -19.972 0.887 -4.033 148 HG2 PRO 24 1HG PRO 24 -20.551 -1.910 -3.138 149 HG3 PRO 24 2HG PRO 24 -21.021 -1.096 -4.641 150 HD2 PRO 24 1HD PRO 24 -18.932 -2.813 -4.507 151 HD3 PRO 24 2HD PRO 24 -18.957 -1.426 -5.613 152 H ASN 25 H ASN 25 -19.143 -2.236 -1.835 153 HA ASN 25 HA ASN 25 -19.329 -1.531 0.851 154 HB2 ASN 25 1HB ASN 25 -19.363 -3.909 1.329 155 HB3 ASN 25 2HB ASN 25 -20.277 -3.603 -0.145 156 HD21 ASN 25 1HD2 ASN 25 -19.446 -4.272 -2.122 157 HD22 ASN 25 2HD2 ASN 25 -18.166 -5.427 -2.234 158 H CYS 26 H CYS 26 -16.561 -2.263 -1.081 159 HA CYS 26 HA CYS 26 -14.832 -2.721 1.205 160 HB2 CYS 26 1HB CYS 26 -14.687 -3.147 -1.665 161 HB3 CYS 26 2HB CYS 26 -13.226 -2.379 -1.052 162 H GLY 27 H GLY 27 -14.319 -0.585 -1.592 163 HA2 GLY 27 1HA GLY 27 -13.401 1.518 -1.718 164 HA3 GLY 27 2HA GLY 27 -14.437 1.874 -0.344 165 H LYS 28 H LYS 28 -11.922 -0.528 -0.143 166 HA LYS 28 HA LYS 28 -10.585 1.097 1.881 167 HB2 LYS 28 1HB LYS 28 -10.219 -1.803 1.104 168 HB3 LYS 28 2HB LYS 28 -9.368 -0.997 2.416 169 HG2 LYS 28 1HG LYS 28 -11.507 -0.589 3.541 170 HG3 LYS 28 2HG LYS 28 -12.343 -1.430 2.234 171 HD2 LYS 28 1HD LYS 28 -11.187 -3.485 2.763 172 HD3 LYS 28 2HD LYS 28 -10.219 -2.662 3.988 173 HE2 LYS 28 1HE LYS 28 -12.054 -3.938 4.989 174 HE3 LYS 28 2HE LYS 28 -12.223 -2.209 5.291 175 HZ1 LYS 28 1HZ LYS 28 -13.600 -3.536 3.035 176 HZ2 LYS 28 2HZ LYS 28 -13.944 -2.038 3.742 177 HZ3 LYS 28 3HZ LYS 28 -14.287 -3.467 4.580 178 H TRP 29 H TRP 29 -8.409 1.635 1.813 179 HA TRP 29 HA TRP 29 -7.261 1.692 -0.873 180 HB2 TRP 29 1HB TRP 29 -6.686 3.217 1.660 181 HB3 TRP 29 2HB TRP 29 -5.586 3.261 0.285 182 HD1 TRP 29 HD TRP 29 -8.882 4.646 1.513 183 HE1 TRP 29 1HE TRP 29 -9.767 6.365 -0.185 184 HE3 TRP 29 3HE TRP 29 -5.596 3.780 -2.307 185 HZ2 TRP 29 2HZ TRP 29 -9.154 7.239 -2.798 186 HZ3 TRP 29 3HZ TRP 29 -5.814 5.100 -4.372 187 HH2 TRP 29 HH TRP 29 -7.557 6.793 -4.611 188 H ARG 30 H ARG 30 -6.240 -0.197 -1.272 189 HA ARG 30 HA ARG 30 -4.664 -1.521 0.751 190 HB2 ARG 30 1HB ARG 30 -4.932 -2.141 -2.197 191 HB3 ARG 30 2HB ARG 30 -4.225 -3.191 -0.976 192 HG2 ARG 30 1HG ARG 30 -7.064 -2.254 -0.776 193 HG3 ARG 30 2HG ARG 30 -6.617 -3.666 -1.737 194 HD2 ARG 30 1HD ARG 30 -6.951 -4.772 0.195 195 HD3 ARG 30 2HD ARG 30 -5.322 -4.210 0.569 196 HE ARG 30 HE ARG 30 -6.850 -2.194 1.478 197 HH11 ARG 30 1HH1 ARG 30 -6.995 -5.642 1.939 198 HH12 ARG 30 2HH1 ARG 30 -7.689 -5.532 3.523 199 HH21 ARG 30 1HH2 ARG 30 -7.763 -2.036 3.563 200 HH22 ARG 30 2HH2 ARG 30 -8.126 -3.481 4.445 201 H ARG 31 H ARG 31 -2.405 -2.008 0.530 202 HA ARG 31 HA ARG 31 -0.924 0.235 -0.605 203 HB2 ARG 31 1HB ARG 31 -0.073 -1.993 1.252 204 HB3 ARG 31 2HB ARG 31 0.986 -0.707 0.691 205 HG2 ARG 31 1HG ARG 31 -0.184 0.932 1.893 206 HG3 ARG 31 2HG ARG 31 -1.566 -0.133 2.158 207 HD2 ARG 31 1HD ARG 31 -0.334 0.022 4.205 208 HD3 ARG 31 2HD ARG 31 -0.094 -1.592 3.536 209 HE ARG 31 HE ARG 31 1.980 0.095 2.664 210 HH11 ARG 31 1HH1 ARG 31 0.813 -1.472 5.546 211 HH12 ARG 31 2HH1 ARG 31 2.380 -1.588 6.275 212 HH21 ARG 31 1HH2 ARG 31 4.049 -0.051 3.614 213 HH22 ARG 31 2HH2 ARG 31 4.220 -0.778 5.176 214 H LEU 32 H LEU 32 0.989 -0.094 -1.874 215 HA LEU 32 HA LEU 32 1.112 -2.684 -3.260 216 HB2 LEU 32 1HB LEU 32 1.064 0.060 -4.492 217 HB3 LEU 32 2HB LEU 32 1.609 -1.374 -5.359 218 HG LEU 32 HG LEU 32 -1.158 -1.037 -4.206 219 HD11 LEU 32 1HD1 LEU 32 -0.137 -0.590 -7.005 220 HD12 LEU 32 2HD1 LEU 32 -0.872 0.601 -5.933 221 HD13 LEU 32 3HD1 LEU 32 -1.842 -0.726 -6.572 222 HD21 LEU 32 1HD2 LEU 32 -0.347 -3.360 -4.484 223 HD22 LEU 32 2HD2 LEU 32 -0.077 -3.029 -6.196 224 HD23 LEU 32 3HD2 LEU 32 -1.711 -2.970 -5.533 225 H CYS 33 H CYS 33 3.171 -2.612 -4.779 226 HA CYS 33 HA CYS 33 5.413 -2.674 -3.167 227 HB2 CYS 33 1HB CYS 33 5.087 -3.660 -5.507 228 HB3 CYS 33 2HB CYS 33 5.548 -2.076 -6.119 229 HG CYS 33 HG CYS 33 7.586 -4.296 -5.926 230 H GLY 34 H GLY 34 4.901 -0.237 -5.728 231 HA2 GLY 34 1HA GLY 34 5.108 2.093 -4.398 232 HA3 GLY 34 2HA GLY 34 6.778 1.547 -4.427 233 H ASN 35 H ASN 35 6.477 0.259 -7.048 234 HA ASN 35 HA ASN 35 6.729 2.685 -8.664 235 HB2 ASN 35 1HB ASN 35 7.821 1.186 -10.320 236 HB3 ASN 35 2HB ASN 35 8.625 1.175 -8.753 237 HD21 ASN 35 1HD2 ASN 35 8.580 -0.662 -7.502 238 HD22 ASN 35 2HD2 ASN 35 8.044 -2.191 -8.104 239 H ILE 36 H ILE 36 4.137 1.471 -7.855 240 HA ILE 36 HA ILE 36 3.075 0.741 -10.499 241 HB ILE 36 HB ILE 36 1.795 0.357 -7.791 242 HG12 ILE 36 1HG1 ILE 36 3.049 -1.685 -9.638 243 HG13 ILE 36 2HG1 ILE 36 3.798 -1.065 -8.171 244 HG21 ILE 36 1HG2 ILE 36 0.766 0.235 -10.480 245 HG22 ILE 36 2HG2 ILE 36 0.621 -1.327 -9.677 246 HG23 ILE 36 3HG2 ILE 36 -0.090 0.109 -8.943 247 HD11 ILE 36 1HD1 ILE 36 1.143 -2.081 -7.663 248 HD12 ILE 36 2HD1 ILE 36 2.189 -3.298 -8.395 249 HD13 ILE 36 3HD1 ILE 36 2.679 -2.495 -6.903 250 H ASP 37 H ASP 37 1.515 1.937 -11.465 251 HA ASP 37 HA ASP 37 0.596 4.344 -10.032 252 HB2 ASP 37 1HB ASP 37 2.027 4.131 -12.485 253 HB3 ASP 37 2HB ASP 37 0.406 4.713 -12.856 254 HA PRO 38 HA PRO 38 -3.544 3.047 -10.712 255 HB2 PRO 38 1HB PRO 38 -4.798 5.452 -10.825 256 HB3 PRO 38 2HB PRO 38 -4.169 4.767 -9.322 257 HG2 PRO 38 1HG PRO 38 -2.955 6.833 -11.116 258 HG3 PRO 38 2HG PRO 38 -3.039 6.799 -9.345 259 HD2 PRO 38 1HD PRO 38 -0.808 6.099 -10.711 260 HD3 PRO 38 2HD PRO 38 -1.253 5.354 -9.162 261 H SER 39 H SER 39 -2.081 5.345 -12.916 262 HA SER 39 HA SER 39 -4.109 5.388 -14.871 263 HB2 SER 39 1HB SER 39 -2.388 7.075 -14.907 264 HB3 SER 39 2HB SER 39 -1.128 5.855 -15.091 265 HG SER 39 HG SER 39 -2.977 6.810 -16.966 266 H VAL 40 H VAL 40 -1.309 3.289 -14.400 267 HA VAL 40 HA VAL 40 -1.856 1.783 -16.809 268 HB VAL 40 HB VAL 40 0.008 0.324 -16.035 269 HG11 VAL 40 1HG1 VAL 40 1.669 1.791 -16.705 270 HG12 VAL 40 2HG1 VAL 40 0.214 2.547 -17.357 271 HG13 VAL 40 3HG1 VAL 40 0.938 3.162 -15.870 272 HG21 VAL 40 1HG2 VAL 40 -0.463 0.848 -13.580 273 HG22 VAL 40 2HG2 VAL 40 1.227 0.759 -14.077 274 HG23 VAL 40 3HG2 VAL 40 0.458 2.329 -13.844 275 H LEU 41 H LEU 41 -2.758 1.679 -13.502 276 HA LEU 41 HA LEU 41 -3.314 -1.125 -13.361 277 HB2 LEU 41 1HB LEU 41 -4.048 1.236 -11.659 278 HB3 LEU 41 2HB LEU 41 -4.681 -0.376 -11.330 279 HG LEU 41 HG LEU 41 -1.727 0.109 -11.504 280 HD11 LEU 41 1HD1 LEU 41 -2.156 0.105 -8.850 281 HD12 LEU 41 2HD1 LEU 41 -3.588 0.980 -9.392 282 HD13 LEU 41 3HD1 LEU 41 -1.982 1.574 -9.811 283 HD21 LEU 41 1HD2 LEU 41 -1.519 -1.932 -10.495 284 HD22 LEU 41 2HD2 LEU 41 -3.013 -2.189 -11.396 285 HD23 LEU 41 3HD2 LEU 41 -3.075 -1.811 -9.673 286 HA PRO 42 HA PRO 42 -7.269 -1.324 -15.257 287 HB2 PRO 42 1HB PRO 42 -8.468 -3.248 -13.762 288 HB3 PRO 42 2HB PRO 42 -7.181 -3.596 -14.923 289 HG2 PRO 42 1HG PRO 42 -7.017 -3.285 -11.950 290 HG3 PRO 42 2HG PRO 42 -6.239 -4.489 -12.993 291 HD2 PRO 42 1HD PRO 42 -4.928 -2.318 -12.043 292 HD3 PRO 42 2HD PRO 42 -4.558 -3.042 -13.622 293 H ASP 43 H ASP 43 -9.380 -0.606 -15.066 294 HA ASP 43 HA ASP 43 -9.920 1.205 -12.934 295 HB2 ASP 43 1HB ASP 43 -11.615 0.210 -15.228 296 HB3 ASP 43 2HB ASP 43 -12.161 1.428 -14.078 297 H ASN 44 H ASN 44 -10.711 -2.109 -13.570 298 HA ASN 44 HA ASN 44 -12.672 -2.145 -11.393 299 HB2 ASN 44 1HB ASN 44 -13.159 -4.454 -12.178 300 HB3 ASN 44 2HB ASN 44 -13.398 -3.239 -13.431 301 HD21 ASN 44 1HD2 ASN 44 -13.005 -4.350 -15.236 302 HD22 ASN 44 2HD2 ASN 44 -11.533 -5.182 -15.587 303 H TRP 45 H TRP 45 -9.895 -1.758 -10.799 304 HA TRP 45 HA TRP 45 -8.689 -4.188 -9.958 305 HB2 TRP 45 1HB TRP 45 -7.436 -2.079 -10.393 306 HB3 TRP 45 2HB TRP 45 -8.159 -1.388 -8.944 307 HD1 TRP 45 HD TRP 45 -5.327 -3.575 -10.090 308 HE1 TRP 45 1HE TRP 45 -3.930 -4.316 -8.059 309 HE3 TRP 45 3HE TRP 45 -8.450 -2.029 -6.349 310 HZ2 TRP 45 2HZ TRP 45 -4.127 -4.254 -5.244 311 HZ3 TRP 45 3HZ TRP 45 -7.772 -2.408 -4.015 312 HH2 TRP 45 HH TRP 45 -5.655 -3.498 -3.476 313 H SER 46 H SER 46 -8.592 -5.144 -7.947 314 HA SER 46 HA SER 46 -10.261 -4.017 -5.816 315 HB2 SER 46 1HB SER 46 -11.026 -6.473 -5.414 316 HB3 SER 46 2HB SER 46 -11.811 -5.536 -6.685 317 HG SER 46 HG SER 46 -10.762 -6.676 -8.199 318 H CYS 47 H CYS 47 -10.016 -5.563 -3.795 319 HA CYS 47 HA CYS 47 -7.368 -5.366 -2.932 320 HB2 CYS 47 1HB CYS 47 -9.492 -7.204 -1.812 321 HB3 CYS 47 2HB CYS 47 -8.073 -6.598 -0.966 322 H ASP 48 H ASP 48 -9.071 -7.960 -4.527 323 HA ASP 48 HA ASP 48 -7.266 -10.052 -3.959 324 HB2 ASP 48 1HB ASP 48 -9.510 -10.481 -4.825 325 HB3 ASP 48 2HB ASP 48 -9.100 -9.674 -6.336 326 H GLN 49 H GLN 49 -7.004 -7.317 -5.974 327 HA GLN 49 HA GLN 49 -4.871 -8.530 -7.576 328 HB2 GLN 49 1HB GLN 49 -6.418 -5.958 -7.852 329 HB3 GLN 49 2HB GLN 49 -4.987 -6.306 -8.813 330 HG2 GLN 49 1HG GLN 49 -6.050 -8.214 -9.806 331 HG3 GLN 49 2HG GLN 49 -7.447 -8.036 -8.745 332 HE21 GLN 49 1HE2 GLN 49 -9.131 -7.220 -9.738 333 HE22 GLN 49 2HE2 GLN 49 -9.106 -6.041 -11.001 334 H ASN 50 H ASN 50 -4.578 -7.875 -4.730 335 HA ASN 50 HA ASN 50 -2.723 -5.618 -4.766 336 HB2 ASN 50 1HB ASN 50 -4.541 -6.171 -2.931 337 HB3 ASN 50 2HB ASN 50 -3.274 -7.221 -2.303 338 HD21 ASN 50 1HD2 ASN 50 -2.441 -6.234 -0.607 339 HD22 ASN 50 2HD2 ASN 50 -1.915 -4.590 -0.552 340 H THR 51 H THR 51 -0.593 -5.826 -3.821 341 HA THR 51 HA THR 51 0.638 -8.374 -4.547 342 HB THR 51 HB THR 51 2.730 -7.240 -4.606 343 HG1 THR 51 1HG THR 51 3.113 -5.582 -3.351 344 HG21 THR 51 1HG2 THR 51 0.596 -5.395 -5.688 345 HG22 THR 51 2HG2 THR 51 1.299 -6.779 -6.525 346 HG23 THR 51 3HG2 THR 51 2.297 -5.374 -6.152 347 H ASP 52 H ASP 52 -0.195 -6.510 -1.777 348 HA ASP 52 HA ASP 52 1.635 -7.954 -0.030 349 HB2 ASP 52 1HB ASP 52 1.092 -5.471 0.212 350 HB3 ASP 52 2HB ASP 52 -0.483 -5.980 0.817 351 H VAL 53 H VAL 53 1.064 -9.948 0.532 352 HA VAL 53 HA VAL 53 -1.468 -11.074 0.362 353 HB VAL 53 HB VAL 53 -0.639 -12.887 1.761 354 HG11 VAL 53 1HG1 VAL 53 0.844 -11.798 -0.507 355 HG12 VAL 53 2HG1 VAL 53 1.784 -12.913 0.486 356 HG13 VAL 53 3HG1 VAL 53 0.253 -13.434 -0.218 357 HG21 VAL 53 1HG2 VAL 53 1.660 -11.026 2.347 358 HG22 VAL 53 2HG2 VAL 53 0.471 -11.637 3.497 359 HG23 VAL 53 3HG2 VAL 53 1.629 -12.741 2.756 360 H GLN 54 H GLN 54 -0.086 -9.081 2.832 361 HA GLN 54 HA GLN 54 -1.799 -9.805 4.966 362 HB2 GLN 54 1HB GLN 54 -0.431 -7.151 4.501 363 HB3 GLN 54 2HB GLN 54 -1.047 -7.756 6.033 364 HG2 GLN 54 1HG GLN 54 0.621 -9.752 5.424 365 HG3 GLN 54 2HG GLN 54 1.430 -8.432 4.580 366 HE21 GLN 54 1HE2 GLN 54 2.637 -9.727 6.671 367 HE22 GLN 54 2HE2 GLN 54 2.755 -8.659 8.024 368 H TYR 55 H TYR 55 -2.236 -7.861 2.159 369 HA TYR 55 HA TYR 55 -4.979 -7.300 2.986 370 HB2 TYR 55 1HB TYR 55 -3.185 -5.138 1.867 371 HB3 TYR 55 2HB TYR 55 -4.864 -4.963 2.368 372 HD1 TYR 55 1HD TYR 55 -1.424 -5.553 3.591 373 HD2 TYR 55 2HD TYR 55 -5.430 -4.578 4.641 374 HE1 TYR 55 1HE TYR 55 -0.677 -4.948 5.855 375 HE2 TYR 55 2HE TYR 55 -4.694 -3.969 6.907 376 HH TYR 55 HH TYR 55 -2.990 -3.855 8.321 377 H ASN 56 H ASN 56 -4.436 -9.244 1.268 378 HA ASN 56 HA ASN 56 -4.853 -8.102 -1.414 379 HB2 ASN 56 1HB ASN 56 -3.810 -9.955 -2.357 380 HB3 ASN 56 2HB ASN 56 -2.881 -9.727 -0.878 381 HD21 ASN 56 1HD2 ASN 56 -3.376 -11.084 0.936 382 HD22 ASN 56 2HD2 ASN 56 -4.021 -12.666 0.675 383 H ARG 57 H ARG 57 -6.823 -8.637 0.814 384 HA ARG 57 HA ARG 57 -8.717 -10.177 -0.819 385 HB2 ARG 57 1HB ARG 57 -8.359 -10.448 2.172 386 HB3 ARG 57 2HB ARG 57 -9.631 -11.212 1.228 387 HG2 ARG 57 1HG ARG 57 -7.008 -11.803 0.161 388 HG3 ARG 57 2HG ARG 57 -7.160 -12.282 1.853 389 HD2 ARG 57 1HD ARG 57 -9.303 -13.431 1.233 390 HD3 ARG 57 2HD ARG 57 -8.913 -13.103 -0.455 391 HE ARG 57 HE ARG 57 -6.800 -14.448 0.928 392 HH11 ARG 57 1HH1 ARG 57 -9.828 -14.890 -0.732 393 HH12 ARG 57 2HH1 ARG 57 -9.492 -16.530 -1.181 394 HH21 ARG 57 1HH2 ARG 57 -6.346 -16.606 0.344 395 HH22 ARG 57 2HH2 ARG 57 -7.512 -17.505 -0.568 396 H CYS 58 H CYS 58 -10.959 -9.681 -0.408 397 HA CYS 58 HA CYS 58 -11.336 -6.875 0.176 398 HB2 CYS 58 1HB CYS 58 -13.111 -9.056 -0.893 399 HB3 CYS 58 2HB CYS 58 -13.773 -7.496 -0.417 400 H ASP 59 H ASP 59 -11.133 -9.514 2.076 401 HA ASP 59 HA ASP 59 -13.279 -8.707 3.905 402 HB2 ASP 59 1HB ASP 59 -12.737 -11.174 3.139 403 HB3 ASP 59 2HB ASP 59 -11.525 -11.075 4.414 404 H ILE 60 H ILE 60 -9.855 -8.658 3.500 405 HA ILE 60 HA ILE 60 -9.137 -8.337 6.234 406 HB ILE 60 HB ILE 60 -7.633 -7.506 3.750 407 HG12 ILE 60 1HG1 ILE 60 -7.118 -9.933 5.458 408 HG13 ILE 60 2HG1 ILE 60 -8.250 -9.981 4.110 409 HG21 ILE 60 1HG2 ILE 60 -5.931 -8.116 5.941 410 HG22 ILE 60 2HG2 ILE 60 -6.119 -6.587 5.083 411 HG23 ILE 60 3HG2 ILE 60 -7.132 -6.944 6.482 412 HD11 ILE 60 1HD1 ILE 60 -6.407 -10.670 3.013 413 HD12 ILE 60 2HD1 ILE 60 -6.140 -8.933 2.858 414 HD13 ILE 60 3HD1 ILE 60 -5.305 -9.844 4.116 415 HA PRO 61 HA PRO 61 -10.529 -4.146 6.710 416 HB2 PRO 61 1HB PRO 61 -9.456 -3.750 9.172 417 HB3 PRO 61 2HB PRO 61 -10.924 -4.698 8.905 418 HG2 PRO 61 1HG PRO 61 -8.111 -5.636 9.312 419 HG3 PRO 61 2HG PRO 61 -9.614 -6.277 9.999 420 HD2 PRO 61 1HD PRO 61 -8.372 -7.427 7.886 421 HD3 PRO 61 2HD PRO 61 -10.136 -7.451 8.086 422 H GLU 62 H GLU 62 -9.614 -2.023 6.949 423 HA GLU 62 HA GLU 62 -7.083 -1.753 5.663 424 HB2 GLU 62 1HB GLU 62 -8.807 0.348 6.988 425 HB3 GLU 62 2HB GLU 62 -7.450 0.664 5.916 426 HG2 GLU 62 1HG GLU 62 -8.590 -0.133 4.042 427 HG3 GLU 62 2HG GLU 62 -9.800 -0.961 5.020 428 H GLU 63 H GLU 63 -5.356 -0.299 6.546 429 HA GLU 63 HA GLU 63 -4.317 -1.369 8.928 430 HB2 GLU 63 1HB GLU 63 -3.567 0.941 7.173 431 HB3 GLU 63 2HB GLU 63 -2.753 0.718 8.715 432 HG2 GLU 63 1HG GLU 63 -1.341 -0.425 7.350 433 HG3 GLU 63 2HG GLU 63 -2.428 -1.729 7.824 434 H THR 64 H THR 64 -3.763 -0.208 10.899 435 HA THR 64 HA THR 64 -6.004 1.007 12.091 436 HB THR 64 HB THR 64 -4.390 1.579 13.962 437 HG1 THR 64 1HG THR 64 -2.299 1.073 13.733 438 HG21 THR 64 1HG2 THR 64 -3.912 -0.882 14.454 439 HG22 THR 64 2HG2 THR 64 -4.688 -1.223 12.907 440 HG23 THR 64 3HG2 THR 64 -5.597 -0.431 14.194 441 H TRP 65 H TRP 65 -6.550 3.095 12.479 442 HA TRP 65 HA TRP 65 -4.926 5.139 11.130 443 HB2 TRP 65 1HB TRP 65 -7.044 6.516 11.282 444 HB3 TRP 65 2HB TRP 65 -7.141 5.090 10.252 445 HD1 TRP 65 HD TRP 65 -7.872 5.770 14.018 446 HE1 TRP 65 1HE TRP 65 -10.103 4.626 14.599 447 HE3 TRP 65 3HE TRP 65 -8.963 3.751 9.450 448 HZ2 TRP 65 2HZ TRP 65 -12.066 3.073 13.294 449 HZ3 TRP 65 3HZ TRP 65 -11.036 2.450 9.200 450 HH2 TRP 65 HH TRP 65 -12.554 2.118 11.084 451 H THR 66 H THR 66 -4.928 7.321 12.147 452 HA THR 66 HA THR 66 -4.734 7.080 15.079 453 HB THR 66 HB THR 66 -3.046 8.877 15.000 454 HG1 THR 66 1HG THR 66 -2.939 8.533 12.191 455 HG21 THR 66 1HG2 THR 66 -1.331 7.438 14.621 456 HG22 THR 66 2HG2 THR 66 -1.962 6.929 13.055 457 HG23 THR 66 3HG2 THR 66 -2.642 6.263 14.539 458 H GLY 67 H GLY 67 -5.545 8.722 16.369 459 HA2 GLY 67 1HA GLY 67 -6.977 10.902 15.001 460 HA3 GLY 67 2HA GLY 67 -7.825 9.899 16.169 461 H LEU 68 H LEU 68 -4.477 10.745 16.619 462 HA LEU 68 HA LEU 68 -5.277 12.630 18.739 463 HB2 LEU 68 1HB LEU 68 -4.486 10.513 19.671 464 HB3 LEU 68 2HB LEU 68 -2.981 10.674 18.767 465 HG LEU 68 HG LEU 68 -2.555 12.782 20.098 466 HD11 LEU 68 1HD1 LEU 68 -3.755 12.840 22.305 467 HD12 LEU 68 2HD1 LEU 68 -4.919 11.708 21.618 468 HD13 LEU 68 3HD1 LEU 68 -4.721 13.309 20.906 469 HD21 LEU 68 1HD2 LEU 68 -2.001 11.428 22.205 470 HD22 LEU 68 2HD2 LEU 68 -1.263 10.929 20.683 471 HD23 LEU 68 3HD2 LEU 68 -2.650 10.045 21.322 472 H GLU 69 H GLU 69 -4.453 14.607 18.566 473 HA GLU 69 HA GLU 69 -2.135 14.997 16.790 474 HB2 GLU 69 1HB GLU 69 -4.374 16.009 16.118 475 HB3 GLU 69 2HB GLU 69 -4.188 17.092 17.491 476 HG2 GLU 69 1HG GLU 69 -3.322 18.394 15.844 477 HG3 GLU 69 2HG GLU 69 -1.857 17.571 16.375 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.088 -2.460 -30.944 2 HA2 GLY 1 1HA GLY 1 0.130 -1.857 -28.658 3 HA3 GLY 1 2HA GLY 1 1.332 -3.140 -28.651 4 H SER 2 H SER 2 1.730 0.365 -29.056 5 HA SER 2 HA SER 2 3.891 0.369 -27.152 6 HB2 SER 2 1HB SER 2 2.663 2.373 -28.998 7 HB3 SER 2 2HB SER 2 3.630 2.961 -27.646 8 HG SER 2 HG SER 2 4.446 1.179 -29.697 9 H SER 3 H SER 3 0.756 2.056 -27.358 10 HA SER 3 HA SER 3 -0.626 2.903 -25.762 11 HB2 SER 3 1HB SER 3 -0.248 0.404 -24.999 12 HB3 SER 3 2HB SER 3 0.613 1.167 -23.663 13 HG SER 3 HG SER 3 -1.338 1.297 -22.863 14 H GLY 4 H GLY 4 1.802 4.270 -26.222 15 HA2 GLY 4 1HA GLY 4 2.282 6.358 -25.055 16 HA3 GLY 4 2HA GLY 4 2.226 5.453 -23.550 17 H SER 5 H SER 5 4.281 6.096 -22.908 18 HA SER 5 HA SER 5 6.440 4.594 -24.153 19 HB2 SER 5 1HB SER 5 6.899 7.515 -23.590 20 HB3 SER 5 2HB SER 5 7.867 6.414 -24.572 21 HG SER 5 HG SER 5 5.964 8.035 -25.388 22 H SER 6 H SER 6 7.567 3.620 -22.613 23 HA SER 6 HA SER 6 7.253 4.479 -19.851 24 HB2 SER 6 1HB SER 6 8.844 2.094 -20.779 25 HB3 SER 6 2HB SER 6 8.048 2.346 -19.226 26 HG SER 6 HG SER 6 6.565 2.246 -21.622 27 H GLY 7 H GLY 7 9.483 3.832 -18.575 28 HA2 GLY 7 1HA GLY 7 11.877 4.734 -19.860 29 HA3 GLY 7 2HA GLY 7 11.177 5.978 -18.835 30 H GLU 8 H GLU 8 13.268 5.745 -17.707 31 HA GLU 8 HA GLU 8 13.145 3.543 -15.753 32 HB2 GLU 8 1HB GLU 8 15.039 3.237 -17.278 33 HB3 GLU 8 2HB GLU 8 15.620 4.851 -16.894 34 HG2 GLU 8 1HG GLU 8 16.943 3.380 -15.638 35 HG3 GLU 8 2HG GLU 8 15.796 4.082 -14.497 36 H ILE 9 H ILE 9 13.197 4.091 -13.652 37 HA ILE 9 HA ILE 9 12.689 6.690 -12.805 38 HB ILE 9 HB ILE 9 13.075 5.912 -10.535 39 HG12 ILE 9 1HG1 ILE 9 13.750 3.167 -11.037 40 HG13 ILE 9 2HG1 ILE 9 14.960 4.206 -11.782 41 HG21 ILE 9 1HG2 ILE 9 11.030 5.235 -11.831 42 HG22 ILE 9 2HG2 ILE 9 11.807 3.675 -12.097 43 HG23 ILE 9 3HG2 ILE 9 11.428 4.202 -10.458 44 HD11 ILE 9 1HD1 ILE 9 15.922 4.336 -9.795 45 HD12 ILE 9 2HD1 ILE 9 14.542 5.297 -9.262 46 HD13 ILE 9 3HD1 ILE 9 14.551 3.552 -9.011 47 H SER 10 H SER 10 13.941 8.206 -11.641 48 HA SER 10 HA SER 10 16.855 7.910 -11.906 49 HB2 SER 10 1HB SER 10 15.133 10.216 -12.789 50 HB3 SER 10 2HB SER 10 16.834 10.452 -12.387 51 HG SER 10 HG SER 10 17.359 9.570 -14.216 52 H GLY 11 H GLY 11 17.387 7.651 -9.804 53 HA2 GLY 11 1HA GLY 11 18.055 9.250 -7.960 54 HA3 GLY 11 2HA GLY 11 16.343 9.637 -7.885 55 H PHE 12 H PHE 12 16.510 9.015 -5.630 56 HA PHE 12 HA PHE 12 16.093 6.133 -5.314 57 HB2 PHE 12 1HB PHE 12 17.901 7.816 -3.570 58 HB3 PHE 12 2HB PHE 12 17.400 6.171 -3.195 59 HD1 PHE 12 1HD PHE 12 18.276 4.287 -4.443 60 HD2 PHE 12 2HD PHE 12 19.518 8.267 -5.297 61 HE1 PHE 12 1HE PHE 12 20.178 3.412 -5.736 62 HE2 PHE 12 2HE PHE 12 21.421 7.399 -6.592 63 HZ PHE 12 HZ PHE 12 21.753 4.969 -6.814 64 H GLY 13 H GLY 13 14.623 5.555 -3.726 65 HA2 GLY 13 1HA GLY 13 13.559 6.512 -1.585 66 HA3 GLY 13 2HA GLY 13 13.046 7.803 -2.662 67 H GLN 14 H GLN 14 12.121 4.959 -1.247 68 HA GLN 14 HA GLN 14 10.663 3.631 -3.221 69 HB2 GLN 14 1HB GLN 14 10.448 3.813 -0.242 70 HB3 GLN 14 2HB GLN 14 9.178 3.001 -1.148 71 HG2 GLN 14 1HG GLN 14 11.009 1.603 -2.194 72 HG3 GLN 14 2HG GLN 14 12.082 2.273 -0.967 73 HE21 GLN 14 1HE2 GLN 14 11.422 -0.468 -1.299 74 HE22 GLN 14 2HE2 GLN 14 10.609 -0.987 0.134 75 H CYS 15 H CYS 15 8.664 3.878 -4.087 76 HA CYS 15 HA CYS 15 7.349 6.439 -3.606 77 HB2 CYS 15 1HB CYS 15 7.333 4.437 -5.820 78 HB3 CYS 15 2HB CYS 15 5.930 5.481 -5.629 79 HG CYS 15 HG CYS 15 7.084 7.780 -6.295 80 H LEU 16 H LEU 16 5.642 6.592 -2.323 81 HA LEU 16 HA LEU 16 4.277 4.178 -1.445 82 HB2 LEU 16 1HB LEU 16 4.124 7.051 -0.559 83 HB3 LEU 16 2HB LEU 16 3.106 5.774 0.105 84 HG LEU 16 HG LEU 16 6.112 5.680 0.222 85 HD11 LEU 16 1HD1 LEU 16 6.019 6.589 2.431 86 HD12 LEU 16 2HD1 LEU 16 4.259 6.675 2.378 87 HD13 LEU 16 3HD1 LEU 16 5.224 7.722 1.338 88 HD21 LEU 16 1HD2 LEU 16 4.275 4.389 2.171 89 HD22 LEU 16 2HD2 LEU 16 5.864 3.878 1.603 90 HD23 LEU 16 3HD2 LEU 16 4.448 3.662 0.573 91 H VAL 17 H VAL 17 2.819 3.487 -2.905 92 HA VAL 17 HA VAL 17 0.850 5.444 -3.898 93 HB VAL 17 HB VAL 17 0.448 3.832 -5.771 94 HG11 VAL 17 1HG1 VAL 17 2.400 4.501 -7.054 95 HG12 VAL 17 2HG1 VAL 17 1.848 5.834 -6.038 96 HG13 VAL 17 3HG1 VAL 17 3.265 4.894 -5.568 97 HG21 VAL 17 1HG2 VAL 17 3.047 2.550 -5.519 98 HG22 VAL 17 2HG2 VAL 17 1.936 2.098 -4.226 99 HG23 VAL 17 3HG2 VAL 17 1.474 1.852 -5.910 100 H TRP 18 H TRP 18 -1.304 4.991 -3.708 101 HA TRP 18 HA TRP 18 -2.017 2.481 -2.339 102 HB2 TRP 18 1HB TRP 18 -3.159 5.239 -1.842 103 HB3 TRP 18 2HB TRP 18 -3.766 3.750 -1.121 104 HD1 TRP 18 HD TRP 18 -0.433 5.745 -1.215 105 HE1 TRP 18 1HE TRP 18 0.711 5.474 1.075 106 HE3 TRP 18 3HE TRP 18 -3.763 2.549 0.984 107 HZ2 TRP 18 2HZ TRP 18 0.262 4.088 3.493 108 HZ3 TRP 18 3HZ TRP 18 -3.332 1.797 3.287 109 HH2 TRP 18 HH TRP 18 -1.360 2.552 4.513 110 H VAL 19 H VAL 19 -3.858 1.447 -3.004 111 HA VAL 19 HA VAL 19 -5.311 2.666 -5.261 112 HB VAL 19 HB VAL 19 -5.673 0.281 -6.056 113 HG11 VAL 19 1HG1 VAL 19 -2.965 1.587 -6.100 114 HG12 VAL 19 2HG1 VAL 19 -3.350 0.159 -7.063 115 HG13 VAL 19 3HG1 VAL 19 -4.236 1.662 -7.320 116 HG21 VAL 19 1HG2 VAL 19 -3.410 -0.218 -4.125 117 HG22 VAL 19 2HG2 VAL 19 -5.036 -0.896 -4.041 118 HG23 VAL 19 3HG2 VAL 19 -3.957 -1.355 -5.358 119 H GLN 20 H GLN 20 -7.451 2.795 -5.040 120 HA GLN 20 HA GLN 20 -8.683 1.626 -2.677 121 HB2 GLN 20 1HB GLN 20 -8.988 4.057 -3.537 122 HB3 GLN 20 2HB GLN 20 -10.111 3.342 -4.686 123 HG2 GLN 20 1HG GLN 20 -11.305 2.338 -2.703 124 HG3 GLN 20 2HG GLN 20 -10.300 3.373 -1.690 125 HE21 GLN 20 1HE2 GLN 20 -12.218 4.384 -0.952 126 HE22 GLN 20 2HE2 GLN 20 -13.020 5.572 -1.916 127 H CYS 21 H CYS 21 -10.059 -0.045 -2.683 128 HA CYS 21 HA CYS 21 -10.237 -1.836 -4.775 129 HB2 CYS 21 1HB CYS 21 -10.850 -2.171 -2.310 130 HB3 CYS 21 2HB CYS 21 -12.428 -1.512 -2.731 131 H SER 22 H SER 22 -12.067 -2.476 -6.096 132 HA SER 22 HA SER 22 -13.322 -0.169 -7.314 133 HB2 SER 22 1HB SER 22 -12.522 -1.672 -8.923 134 HB3 SER 22 2HB SER 22 -13.103 -3.080 -8.035 135 HG SER 22 HG SER 22 -15.099 -2.752 -8.778 136 H PHE 23 H PHE 23 -14.182 -2.766 -5.193 137 HA PHE 23 HA PHE 23 -17.015 -2.563 -5.600 138 HB2 PHE 23 1HB PHE 23 -15.408 -3.873 -3.397 139 HB3 PHE 23 2HB PHE 23 -17.153 -4.022 -3.587 140 HD1 PHE 23 2HD PHE 23 -17.869 -4.771 -6.057 141 HD2 PHE 23 1HD PHE 23 -14.123 -5.581 -4.207 142 HE1 PHE 23 2HE PHE 23 -17.543 -6.687 -7.565 143 HE2 PHE 23 1HE PHE 23 -13.789 -7.498 -5.713 144 HZ PHE 23 HZ PHE 23 -15.501 -8.054 -7.394 145 HA PRO 24 HA PRO 24 -17.873 0.882 -3.002 146 HB2 PRO 24 1HB PRO 24 -20.451 0.320 -2.364 147 HB3 PRO 24 2HB PRO 24 -19.961 0.896 -3.962 148 HG2 PRO 24 1HG PRO 24 -20.541 -1.896 -3.050 149 HG3 PRO 24 2HG PRO 24 -21.022 -1.087 -4.553 150 HD2 PRO 24 1HD PRO 24 -18.937 -2.810 -4.428 151 HD3 PRO 24 2HD PRO 24 -18.967 -1.427 -5.541 152 H ASN 25 H ASN 25 -19.126 -2.221 -1.758 153 HA ASN 25 HA ASN 25 -19.288 -1.505 0.926 154 HB2 ASN 25 1HB ASN 25 -18.946 -4.125 -0.495 155 HB3 ASN 25 2HB ASN 25 -18.881 -4.067 1.264 156 HD21 ASN 25 1HD2 ASN 25 -20.872 -3.189 -1.511 157 HD22 ASN 25 2HD2 ASN 25 -22.389 -3.351 -0.700 158 H CYS 26 H CYS 26 -16.536 -2.249 -1.024 159 HA CYS 26 HA CYS 26 -14.789 -2.704 1.249 160 HB2 CYS 26 1HB CYS 26 -14.669 -3.134 -1.620 161 HB3 CYS 26 2HB CYS 26 -13.204 -2.359 -1.023 162 H GLY 27 H GLY 27 -14.298 -0.567 -1.551 163 HA2 GLY 27 1HA GLY 27 -13.379 1.536 -1.683 164 HA3 GLY 27 2HA GLY 27 -14.406 1.891 -0.302 165 H LYS 28 H LYS 28 -11.883 -0.507 -0.129 166 HA LYS 28 HA LYS 28 -10.534 1.116 1.889 167 HB2 LYS 28 1HB LYS 28 -10.178 -1.785 1.113 168 HB3 LYS 28 2HB LYS 28 -9.314 -0.979 2.416 169 HG2 LYS 28 1HG LYS 28 -11.441 -0.566 3.561 170 HG3 LYS 28 2HG LYS 28 -12.292 -1.404 2.262 171 HD2 LYS 28 1HD LYS 28 -11.129 -3.462 2.780 172 HD3 LYS 28 2HD LYS 28 -10.158 -2.639 4.003 173 HE2 LYS 28 1HE LYS 28 -11.993 -3.920 5.004 174 HE3 LYS 28 2HE LYS 28 -12.156 -2.192 5.314 175 HZ1 LYS 28 1HZ LYS 28 -14.223 -3.456 4.597 176 HZ2 LYS 28 2HZ LYS 28 -13.542 -3.490 3.050 177 HZ3 LYS 28 3HZ LYS 28 -13.889 -2.008 3.787 178 H TRP 29 H TRP 29 -8.333 1.603 1.823 179 HA TRP 29 HA TRP 29 -7.211 1.668 -0.878 180 HB2 TRP 29 1HB TRP 29 -6.621 3.206 1.645 181 HB3 TRP 29 2HB TRP 29 -5.527 3.241 0.264 182 HD1 TRP 29 HD TRP 29 -8.796 4.658 1.513 183 HE1 TRP 29 1HE TRP 29 -9.694 6.362 -0.193 184 HE3 TRP 29 3HE TRP 29 -5.576 3.718 -2.345 185 HZ2 TRP 29 2HZ TRP 29 -9.115 7.197 -2.827 186 HZ3 TRP 29 3HZ TRP 29 -5.816 5.012 -4.424 187 HH2 TRP 29 HH TRP 29 -7.550 6.715 -4.658 188 H ARG 30 H ARG 30 -6.198 -0.227 -1.271 189 HA ARG 30 HA ARG 30 -4.613 -1.542 0.750 190 HB2 ARG 30 1HB ARG 30 -4.887 -2.180 -2.192 191 HB3 ARG 30 2HB ARG 30 -4.193 -3.227 -0.961 192 HG2 ARG 30 1HG ARG 30 -7.022 -2.266 -0.765 193 HG3 ARG 30 2HG ARG 30 -6.591 -3.678 -1.732 194 HD2 ARG 30 1HD ARG 30 -6.938 -4.784 0.199 195 HD3 ARG 30 2HD ARG 30 -5.299 -4.250 0.566 196 HE ARG 30 HE ARG 30 -6.788 -2.213 1.492 197 HH11 ARG 30 1HH1 ARG 30 -6.992 -5.660 1.937 198 HH12 ARG 30 2HH1 ARG 30 -7.677 -5.546 3.524 199 HH21 ARG 30 1HH2 ARG 30 -7.689 -2.050 3.581 200 HH22 ARG 30 2HH2 ARG 30 -8.074 -3.492 4.458 201 H ARG 31 H ARG 31 -2.379 -1.848 0.719 202 HA ARG 31 HA ARG 31 -0.888 0.345 -0.402 203 HB2 ARG 31 1HB ARG 31 0.037 -2.056 1.187 204 HB3 ARG 31 2HB ARG 31 1.033 -0.666 0.775 205 HG2 ARG 31 1HG ARG 31 -0.899 0.652 1.984 206 HG3 ARG 31 2HG ARG 31 -1.160 -0.910 2.763 207 HD2 ARG 31 1HD ARG 31 1.632 -0.371 2.746 208 HD3 ARG 31 2HD ARG 31 0.797 1.059 3.351 209 HE ARG 31 HE ARG 31 0.269 -0.100 5.250 210 HH11 ARG 31 1HH1 ARG 31 1.248 -2.351 2.781 211 HH12 ARG 31 2HH1 ARG 31 1.254 -3.717 3.846 212 HH21 ARG 31 1HH2 ARG 31 0.273 -1.892 6.662 213 HH22 ARG 31 2HH2 ARG 31 0.699 -3.455 6.053 214 H LEU 32 H LEU 32 1.111 0.022 -1.637 215 HA LEU 32 HA LEU 32 1.249 -2.434 -3.203 216 HB2 LEU 32 1HB LEU 32 0.589 0.271 -4.274 217 HB3 LEU 32 2HB LEU 32 1.553 -0.831 -5.255 218 HG LEU 32 HG LEU 32 -1.201 -1.445 -4.188 219 HD11 LEU 32 1HD1 LEU 32 -1.356 0.338 -5.796 220 HD12 LEU 32 2HD1 LEU 32 -1.912 -1.162 -6.539 221 HD13 LEU 32 3HD1 LEU 32 -0.309 -0.531 -6.917 222 HD21 LEU 32 1HD2 LEU 32 -0.330 -2.964 -6.467 223 HD22 LEU 32 2HD2 LEU 32 -0.881 -3.527 -4.889 224 HD23 LEU 32 3HD2 LEU 32 0.820 -3.130 -5.140 225 H CYS 33 H CYS 33 3.196 -2.335 -4.726 226 HA CYS 33 HA CYS 33 5.489 -1.665 -3.166 227 HB2 CYS 33 1HB CYS 33 5.124 -2.761 -5.950 228 HB3 CYS 33 2HB CYS 33 6.716 -2.397 -5.294 229 HG CYS 33 HG CYS 33 6.866 -4.906 -4.643 230 H GLY 34 H GLY 34 7.406 -0.621 -4.568 231 HA2 GLY 34 1HA GLY 34 6.457 2.084 -5.142 232 HA3 GLY 34 2HA GLY 34 8.123 1.610 -4.845 233 H ASN 35 H ASN 35 6.326 -0.330 -7.038 234 HA ASN 35 HA ASN 35 7.506 1.081 -9.333 235 HB2 ASN 35 1HB ASN 35 7.769 -1.813 -8.585 236 HB3 ASN 35 2HB ASN 35 7.808 -1.339 -10.281 237 HD21 ASN 35 1HD2 ASN 35 9.304 -0.700 -7.150 238 HD22 ASN 35 2HD2 ASN 35 10.863 -0.300 -7.777 239 H ILE 36 H ILE 36 4.789 1.037 -8.236 240 HA ILE 36 HA ILE 36 3.414 0.069 -10.645 241 HB ILE 36 HB ILE 36 2.382 -0.264 -7.826 242 HG12 ILE 36 1HG1 ILE 36 3.015 -2.434 -9.822 243 HG13 ILE 36 2HG1 ILE 36 4.205 -1.852 -8.663 244 HG21 ILE 36 1HG2 ILE 36 1.089 -0.332 -10.454 245 HG22 ILE 36 2HG2 ILE 36 0.746 -1.727 -9.432 246 HG23 ILE 36 3HG2 ILE 36 0.393 -0.100 -8.851 247 HD11 ILE 36 1HD1 ILE 36 2.026 -2.378 -7.086 248 HD12 ILE 36 2HD1 ILE 36 1.966 -3.662 -8.293 249 HD13 ILE 36 3HD1 ILE 36 3.418 -3.434 -7.319 250 H ASP 37 H ASP 37 1.816 1.375 -11.420 251 HA ASP 37 HA ASP 37 1.234 3.823 -9.887 252 HB2 ASP 37 1HB ASP 37 2.514 3.593 -12.419 253 HB3 ASP 37 2HB ASP 37 0.930 4.317 -12.682 254 HA PRO 38 HA PRO 38 -3.028 2.890 -10.385 255 HB2 PRO 38 1HB PRO 38 -4.085 5.390 -10.350 256 HB3 PRO 38 2HB PRO 38 -3.439 4.600 -8.907 257 HG2 PRO 38 1HG PRO 38 -2.152 6.629 -10.694 258 HG3 PRO 38 2HG PRO 38 -2.148 6.535 -8.923 259 HD2 PRO 38 1HD PRO 38 -0.055 5.711 -10.430 260 HD3 PRO 38 2HD PRO 38 -0.480 4.946 -8.885 261 H SER 39 H SER 39 -1.487 5.131 -12.592 262 HA SER 39 HA SER 39 -3.606 5.413 -14.432 263 HB2 SER 39 1HB SER 39 -0.663 5.885 -14.486 264 HB3 SER 39 2HB SER 39 -1.510 5.809 -16.031 265 HG SER 39 HG SER 39 -2.375 7.444 -13.888 266 H VAL 40 H VAL 40 -0.847 3.180 -14.332 267 HA VAL 40 HA VAL 40 -1.617 1.801 -16.718 268 HB VAL 40 HB VAL 40 0.093 0.127 -16.028 269 HG11 VAL 40 1HG1 VAL 40 1.278 1.544 -17.284 270 HG12 VAL 40 2HG1 VAL 40 0.527 2.960 -16.547 271 HG13 VAL 40 3HG1 VAL 40 1.902 2.181 -15.763 272 HG21 VAL 40 1HG2 VAL 40 1.408 0.425 -14.069 273 HG22 VAL 40 2HG2 VAL 40 0.640 1.972 -13.711 274 HG23 VAL 40 3HG2 VAL 40 -0.282 0.475 -13.566 275 H LEU 41 H LEU 41 -2.402 1.534 -13.359 276 HA LEU 41 HA LEU 41 -3.243 -1.172 -13.339 277 HB2 LEU 41 1HB LEU 41 -3.792 1.201 -11.596 278 HB3 LEU 41 2HB LEU 41 -4.634 -0.325 -11.334 279 HG LEU 41 HG LEU 41 -1.634 -0.165 -11.370 280 HD11 LEU 41 1HD1 LEU 41 -2.343 -0.334 -8.727 281 HD12 LEU 41 2HD1 LEU 41 -3.476 0.861 -9.358 282 HD13 LEU 41 3HD1 LEU 41 -1.740 1.110 -9.542 283 HD21 LEU 41 1HD2 LEU 41 -3.443 -2.072 -9.912 284 HD22 LEU 41 2HD2 LEU 41 -1.722 -2.241 -10.258 285 HD23 LEU 41 3HD2 LEU 41 -2.900 -2.354 -11.566 286 HA PRO 42 HA PRO 42 -7.155 -1.047 -15.328 287 HB2 PRO 42 1HB PRO 42 -8.525 -2.909 -13.904 288 HB3 PRO 42 2HB PRO 42 -7.238 -3.325 -15.042 289 HG2 PRO 42 1HG PRO 42 -7.126 -3.088 -12.060 290 HG3 PRO 42 2HG PRO 42 -6.410 -4.323 -13.112 291 HD2 PRO 42 1HD PRO 42 -4.971 -2.273 -12.084 292 HD3 PRO 42 2HD PRO 42 -4.616 -2.989 -13.669 293 H ASP 43 H ASP 43 -9.557 -0.866 -14.851 294 HA ASP 43 HA ASP 43 -9.925 1.203 -12.831 295 HB2 ASP 43 1HB ASP 43 -11.820 1.879 -14.018 296 HB3 ASP 43 2HB ASP 43 -10.737 1.323 -15.290 297 H ASN 44 H ASN 44 -10.832 -2.087 -13.499 298 HA ASN 44 HA ASN 44 -12.760 -2.102 -11.301 299 HB2 ASN 44 1HB ASN 44 -12.997 -3.272 -13.668 300 HB3 ASN 44 2HB ASN 44 -12.102 -4.559 -12.866 301 HD21 ASN 44 1HD2 ASN 44 -15.078 -3.645 -13.668 302 HD22 ASN 44 2HD2 ASN 44 -15.991 -4.362 -12.388 303 H TRP 45 H TRP 45 -9.872 -1.793 -10.859 304 HA TRP 45 HA TRP 45 -8.710 -4.188 -9.950 305 HB2 TRP 45 1HB TRP 45 -7.469 -2.067 -10.379 306 HB3 TRP 45 2HB TRP 45 -8.189 -1.391 -8.920 307 HD1 TRP 45 HD TRP 45 -5.362 -3.573 -10.098 308 HE1 TRP 45 1HE TRP 45 -3.950 -4.319 -8.079 309 HE3 TRP 45 3HE TRP 45 -8.455 -2.034 -6.330 310 HZ2 TRP 45 2HZ TRP 45 -4.124 -4.263 -5.263 311 HZ3 TRP 45 3HZ TRP 45 -7.759 -2.418 -4.002 312 HH2 TRP 45 HH TRP 45 -5.638 -3.510 -3.481 313 H SER 46 H SER 46 -8.593 -5.137 -7.932 314 HA SER 46 HA SER 46 -10.271 -4.028 -5.801 315 HB2 SER 46 1HB SER 46 -11.035 -6.479 -5.402 316 HB3 SER 46 2HB SER 46 -11.812 -5.553 -6.685 317 HG SER 46 HG SER 46 -11.191 -7.098 -7.953 318 H CYS 47 H CYS 47 -10.016 -5.567 -3.782 319 HA CYS 47 HA CYS 47 -7.365 -5.368 -2.927 320 HB2 CYS 47 1HB CYS 47 -9.484 -7.205 -1.795 321 HB3 CYS 47 2HB CYS 47 -8.064 -6.591 -0.955 322 H ASP 48 H ASP 48 -9.070 -7.959 -4.520 323 HA ASP 48 HA ASP 48 -7.267 -10.054 -3.949 324 HB2 ASP 48 1HB ASP 48 -9.495 -10.517 -4.798 325 HB3 ASP 48 2HB ASP 48 -9.134 -9.664 -6.296 326 H GLN 49 H GLN 49 -7.006 -7.321 -5.966 327 HA GLN 49 HA GLN 49 -4.884 -8.539 -7.578 328 HB2 GLN 49 1HB GLN 49 -6.410 -5.952 -7.836 329 HB3 GLN 49 2HB GLN 49 -4.992 -6.315 -8.811 330 HG2 GLN 49 1HG GLN 49 -6.084 -8.201 -9.805 331 HG3 GLN 49 2HG GLN 49 -7.464 -8.026 -8.722 332 HE21 GLN 49 1HE2 GLN 49 -9.157 -7.237 -9.725 333 HE22 GLN 49 2HE2 GLN 49 -9.146 -6.033 -10.963 334 H ASN 50 H ASN 50 -4.597 -7.872 -4.722 335 HA ASN 50 HA ASN 50 -2.725 -5.633 -4.759 336 HB2 ASN 50 1HB ASN 50 -4.535 -6.191 -2.918 337 HB3 ASN 50 2HB ASN 50 -3.269 -7.249 -2.302 338 HD21 ASN 50 1HD2 ASN 50 -2.426 -6.274 -0.604 339 HD22 ASN 50 2HD2 ASN 50 -1.893 -4.632 -0.541 340 H THR 51 H THR 51 -0.597 -5.860 -3.785 341 HA THR 51 HA THR 51 0.627 -8.404 -4.545 342 HB THR 51 HB THR 51 2.761 -7.238 -4.458 343 HG1 THR 51 1HG THR 51 1.207 -5.033 -3.534 344 HG21 THR 51 1HG2 THR 51 0.616 -6.588 -6.201 345 HG22 THR 51 2HG2 THR 51 2.347 -6.553 -6.536 346 HG23 THR 51 3HG2 THR 51 1.540 -5.115 -5.911 347 H ASP 52 H ASP 52 -0.195 -6.556 -1.762 348 HA ASP 52 HA ASP 52 1.633 -8.021 -0.029 349 HB2 ASP 52 1HB ASP 52 1.135 -5.545 0.245 350 HB3 ASP 52 2HB ASP 52 -0.465 -6.019 0.810 351 H VAL 53 H VAL 53 1.052 -10.010 0.537 352 HA VAL 53 HA VAL 53 -1.487 -11.122 0.362 353 HB VAL 53 HB VAL 53 -0.668 -12.941 1.762 354 HG11 VAL 53 1HG1 VAL 53 0.188 -13.462 -0.247 355 HG12 VAL 53 2HG1 VAL 53 0.861 -11.849 -0.491 356 HG13 VAL 53 3HG1 VAL 53 1.732 -13.031 0.487 357 HG21 VAL 53 1HG2 VAL 53 1.569 -12.827 2.781 358 HG22 VAL 53 2HG2 VAL 53 1.679 -11.128 2.319 359 HG23 VAL 53 3HG2 VAL 53 0.458 -11.648 3.480 360 H GLN 54 H GLN 54 -0.094 -9.144 2.839 361 HA GLN 54 HA GLN 54 -1.814 -9.863 4.969 362 HB2 GLN 54 1HB GLN 54 -0.426 -7.217 4.512 363 HB3 GLN 54 2HB GLN 54 -1.049 -7.821 6.042 364 HG2 GLN 54 1HG GLN 54 0.604 -9.828 5.437 365 HG3 GLN 54 2HG GLN 54 1.424 -8.518 4.589 366 HE21 GLN 54 1HE2 GLN 54 2.064 -10.113 7.046 367 HE22 GLN 54 2HE2 GLN 54 2.408 -8.928 8.255 368 H TYR 55 H TYR 55 -2.241 -7.920 2.162 369 HA TYR 55 HA TYR 55 -4.977 -7.335 2.992 370 HB2 TYR 55 1HB TYR 55 -3.167 -5.188 1.873 371 HB3 TYR 55 2HB TYR 55 -4.844 -5.000 2.370 372 HD1 TYR 55 1HD TYR 55 -1.411 -5.612 3.599 373 HD2 TYR 55 2HD TYR 55 -5.413 -4.611 4.643 374 HE1 TYR 55 1HE TYR 55 -0.664 -5.012 5.864 375 HE2 TYR 55 2HE TYR 55 -4.676 -4.006 6.910 376 HH TYR 55 HH TYR 55 -2.977 -4.004 8.355 377 H ASN 56 H ASN 56 -4.465 -9.284 1.278 378 HA ASN 56 HA ASN 56 -4.870 -8.141 -1.405 379 HB2 ASN 56 1HB ASN 56 -3.845 -10.004 -2.349 380 HB3 ASN 56 2HB ASN 56 -2.912 -9.781 -0.872 381 HD21 ASN 56 1HD2 ASN 56 -3.405 -11.136 0.942 382 HD22 ASN 56 2HD2 ASN 56 -4.068 -12.711 0.686 383 H ARG 57 H ARG 57 -6.842 -8.656 0.825 384 HA ARG 57 HA ARG 57 -8.752 -10.181 -0.804 385 HB2 ARG 57 1HB ARG 57 -8.420 -10.444 2.191 386 HB3 ARG 57 2HB ARG 57 -9.667 -11.224 1.226 387 HG2 ARG 57 1HG ARG 57 -7.041 -11.805 0.187 388 HG3 ARG 57 2HG ARG 57 -7.171 -12.245 1.891 389 HD2 ARG 57 1HD ARG 57 -9.279 -13.461 1.339 390 HD3 ARG 57 2HD ARG 57 -8.960 -13.136 -0.364 391 HE ARG 57 HE ARG 57 -6.744 -14.401 0.896 392 HH11 ARG 57 1HH1 ARG 57 -9.896 -14.997 -0.456 393 HH12 ARG 57 2HH1 ARG 57 -9.555 -16.646 -0.860 394 HH21 ARG 57 1HH2 ARG 57 -6.282 -16.572 0.369 395 HH22 ARG 57 2HH2 ARG 57 -7.499 -17.542 -0.390 396 H CYS 58 H CYS 58 -10.991 -9.671 -0.381 397 HA CYS 58 HA CYS 58 -11.343 -6.858 0.193 398 HB2 CYS 58 1HB CYS 58 -13.142 -9.028 -0.859 399 HB3 CYS 58 2HB CYS 58 -13.786 -7.458 -0.391 400 H ASP 59 H ASP 59 -11.167 -9.503 2.095 401 HA ASP 59 HA ASP 59 -13.295 -8.667 3.931 402 HB2 ASP 59 1HB ASP 59 -12.850 -11.130 3.186 403 HB3 ASP 59 2HB ASP 59 -11.548 -11.066 4.371 404 H ILE 60 H ILE 60 -9.869 -8.665 3.518 405 HA ILE 60 HA ILE 60 -9.140 -8.343 6.248 406 HB ILE 60 HB ILE 60 -7.637 -7.533 3.756 407 HG12 ILE 60 1HG1 ILE 60 -7.127 -9.956 5.468 408 HG13 ILE 60 2HG1 ILE 60 -8.278 -10.002 4.137 409 HG21 ILE 60 1HG2 ILE 60 -5.925 -8.149 5.932 410 HG22 ILE 60 2HG2 ILE 60 -6.117 -6.616 5.084 411 HG23 ILE 60 3HG2 ILE 60 -7.118 -6.976 6.489 412 HD11 ILE 60 1HD1 ILE 60 -5.337 -9.910 4.100 413 HD12 ILE 60 2HD1 ILE 60 -6.468 -10.698 3.000 414 HD13 ILE 60 3HD1 ILE 60 -6.166 -8.966 2.863 415 HA PRO 61 HA PRO 61 -10.488 -4.137 6.723 416 HB2 PRO 61 1HB PRO 61 -9.407 -3.751 9.183 417 HB3 PRO 61 2HB PRO 61 -10.885 -4.683 8.919 418 HG2 PRO 61 1HG PRO 61 -8.081 -5.652 9.322 419 HG3 PRO 61 2HG PRO 61 -9.591 -6.277 10.012 420 HD2 PRO 61 1HD PRO 61 -8.365 -7.441 7.897 421 HD3 PRO 61 2HD PRO 61 -10.128 -7.446 8.100 422 H GLU 62 H GLU 62 -9.548 -2.024 6.966 423 HA GLU 62 HA GLU 62 -7.015 -1.783 5.675 424 HB2 GLU 62 1HB GLU 62 -8.703 0.346 7.001 425 HB3 GLU 62 2HB GLU 62 -7.357 0.633 5.907 426 HG2 GLU 62 1HG GLU 62 -8.536 -0.125 4.055 427 HG3 GLU 62 2HG GLU 62 -9.718 -0.985 5.040 428 H GLU 63 H GLU 63 -5.192 -0.541 6.516 429 HA GLU 63 HA GLU 63 -4.158 -1.560 8.871 430 HB2 GLU 63 1HB GLU 63 -3.449 0.650 7.042 431 HB3 GLU 63 2HB GLU 63 -2.773 0.760 8.661 432 HG2 GLU 63 1HG GLU 63 -2.541 -1.809 7.179 433 HG3 GLU 63 2HG GLU 63 -1.491 -0.465 6.735 434 H THR 64 H THR 64 -3.367 -0.112 10.739 435 HA THR 64 HA THR 64 -5.715 1.311 11.786 436 HB THR 64 HB THR 64 -4.300 1.046 13.995 437 HG1 THR 64 1HG THR 64 -2.523 -0.035 13.568 438 HG21 THR 64 1HG2 THR 64 -6.516 0.029 13.494 439 HG22 THR 64 2HG2 THR 64 -5.477 -1.001 14.479 440 HG23 THR 64 3HG2 THR 64 -5.679 -1.338 12.760 441 H TRP 65 H TRP 65 -5.637 3.422 12.262 442 HA TRP 65 HA TRP 65 -3.194 4.874 11.648 443 HB2 TRP 65 1HB TRP 65 -6.074 5.567 11.922 444 HB3 TRP 65 2HB TRP 65 -4.903 6.836 12.272 445 HD1 TRP 65 HD TRP 65 -4.765 4.189 9.440 446 HE1 TRP 65 1HE TRP 65 -4.575 5.439 7.198 447 HE3 TRP 65 3HE TRP 65 -5.111 8.991 11.157 448 HZ2 TRP 65 2HZ TRP 65 -4.572 8.108 6.280 449 HZ3 TRP 65 3HZ TRP 65 -5.005 10.836 9.532 450 HH2 TRP 65 HH TRP 65 -4.741 10.401 7.144 451 H THR 66 H THR 66 -1.784 4.710 13.319 452 HA THR 66 HA THR 66 -2.752 5.446 16.000 453 HB THR 66 HB THR 66 -0.533 4.436 16.763 454 HG1 THR 66 1HG THR 66 0.397 4.375 14.624 455 HG21 THR 66 1HG2 THR 66 -1.522 2.379 17.082 456 HG22 THR 66 2HG2 THR 66 -2.204 2.335 15.456 457 HG23 THR 66 3HG2 THR 66 -2.929 3.366 16.689 458 H GLY 67 H GLY 67 -1.763 7.067 17.156 459 HA2 GLY 67 1HA GLY 67 0.155 8.529 17.508 460 HA3 GLY 67 2HA GLY 67 0.371 8.560 15.764 461 H LEU 68 H LEU 68 0.416 10.944 16.483 462 HA LEU 68 HA LEU 68 -2.313 12.007 16.190 463 HB2 LEU 68 1HB LEU 68 -1.553 12.366 18.471 464 HB3 LEU 68 2HB LEU 68 -0.082 13.133 17.876 465 HG LEU 68 HG LEU 68 -1.612 14.889 16.838 466 HD11 LEU 68 1HD1 LEU 68 -3.613 14.095 18.893 467 HD12 LEU 68 2HD1 LEU 68 -3.632 13.284 17.327 468 HD13 LEU 68 3HD1 LEU 68 -3.820 15.036 17.415 469 HD21 LEU 68 1HD2 LEU 68 -2.057 15.843 19.258 470 HD22 LEU 68 2HD2 LEU 68 -0.424 15.720 18.602 471 HD23 LEU 68 3HD2 LEU 68 -1.019 14.496 19.725 472 H GLU 69 H GLU 69 -2.594 13.596 14.706 473 HA GLU 69 HA GLU 69 -0.339 14.161 12.956 474 HB2 GLU 69 1HB GLU 69 -2.646 13.472 12.130 475 HB3 GLU 69 2HB GLU 69 -3.190 15.076 12.599 476 HG2 GLU 69 1HG GLU 69 -2.741 15.290 10.338 477 HG3 GLU 69 2HG GLU 69 -1.295 15.941 11.107 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.183 1.094 -29.495 2 HA2 GLY 1 1HA GLY 1 5.021 -0.349 -29.434 3 HA3 GLY 1 2HA GLY 1 5.851 0.697 -30.577 4 H SER 2 H SER 2 4.792 0.513 -27.196 5 HA SER 2 HA SER 2 6.656 2.569 -26.392 6 HB2 SER 2 1HB SER 2 4.757 0.792 -24.854 7 HB3 SER 2 2HB SER 2 5.842 1.938 -24.068 8 HG SER 2 HG SER 2 3.937 3.001 -24.381 9 H SER 3 H SER 3 8.443 2.282 -25.026 10 HA SER 3 HA SER 3 9.395 -0.467 -24.653 11 HB2 SER 3 1HB SER 3 10.364 0.693 -26.754 12 HB3 SER 3 2HB SER 3 11.282 1.673 -25.611 13 HG SER 3 HG SER 3 12.378 -0.252 -26.344 14 H GLY 4 H GLY 4 11.683 -0.210 -23.415 15 HA2 GLY 4 1HA GLY 4 12.840 1.050 -21.705 16 HA3 GLY 4 2HA GLY 4 11.304 1.792 -21.284 17 H SER 5 H SER 5 13.488 -0.705 -20.606 18 HA SER 5 HA SER 5 11.719 -1.704 -18.513 19 HB2 SER 5 1HB SER 5 12.262 -4.064 -19.076 20 HB3 SER 5 2HB SER 5 11.329 -3.265 -20.340 21 HG SER 5 HG SER 5 14.066 -3.942 -20.315 22 H SER 6 H SER 6 12.770 -1.958 -16.648 23 HA SER 6 HA SER 6 15.700 -2.243 -16.718 24 HB2 SER 6 1HB SER 6 15.021 0.082 -16.123 25 HB3 SER 6 2HB SER 6 14.147 -0.564 -14.734 26 HG SER 6 HG SER 6 16.892 -0.330 -15.168 27 H GLY 7 H GLY 7 15.911 -4.341 -16.152 28 HA2 GLY 7 1HA GLY 7 14.763 -5.120 -13.547 29 HA3 GLY 7 2HA GLY 7 14.691 -6.208 -14.925 30 H GLU 8 H GLU 8 17.507 -4.261 -14.631 31 HA GLU 8 HA GLU 8 19.066 -6.653 -14.008 32 HB2 GLU 8 1HB GLU 8 19.668 -4.025 -15.299 33 HB3 GLU 8 2HB GLU 8 20.982 -4.927 -14.557 34 HG2 GLU 8 1HG GLU 8 20.550 -6.818 -15.987 35 HG3 GLU 8 2HG GLU 8 19.139 -6.015 -16.672 36 H ILE 9 H ILE 9 18.321 -6.555 -11.746 37 HA ILE 9 HA ILE 9 18.687 -6.152 -9.537 38 HB ILE 9 HB ILE 9 21.265 -4.855 -10.420 39 HG12 ILE 9 1HG1 ILE 9 20.700 -7.764 -9.806 40 HG13 ILE 9 2HG1 ILE 9 21.031 -7.100 -11.402 41 HG21 ILE 9 1HG2 ILE 9 20.115 -5.060 -7.912 42 HG22 ILE 9 2HG2 ILE 9 21.283 -6.379 -7.956 43 HG23 ILE 9 3HG2 ILE 9 21.810 -4.725 -8.264 44 HD11 ILE 9 1HD1 ILE 9 23.253 -6.330 -10.440 45 HD12 ILE 9 2HD1 ILE 9 22.896 -7.392 -9.078 46 HD13 ILE 9 3HD1 ILE 9 23.040 -8.061 -10.703 47 H SER 10 H SER 10 16.877 -4.553 -10.000 48 HA SER 10 HA SER 10 17.745 -1.907 -9.070 49 HB2 SER 10 1HB SER 10 15.667 -2.364 -11.224 50 HB3 SER 10 2HB SER 10 16.162 -0.803 -10.569 51 HG SER 10 HG SER 10 17.634 -0.834 -12.056 52 H GLY 11 H GLY 11 16.699 -1.294 -7.295 53 HA2 GLY 11 1HA GLY 11 13.907 -1.718 -6.899 54 HA3 GLY 11 2HA GLY 11 14.858 -2.836 -5.933 55 H PHE 12 H PHE 12 16.010 0.369 -6.677 56 HA PHE 12 HA PHE 12 16.150 0.982 -3.857 57 HB2 PHE 12 1HB PHE 12 17.116 2.346 -6.357 58 HB3 PHE 12 2HB PHE 12 17.151 3.174 -4.804 59 HD1 PHE 12 1HD PHE 12 18.526 2.252 -2.951 60 HD2 PHE 12 2HD PHE 12 18.716 0.702 -6.910 61 HE1 PHE 12 1HE PHE 12 20.673 1.174 -2.422 62 HE2 PHE 12 2HE PHE 12 20.863 -0.380 -6.388 63 HZ PHE 12 HZ PHE 12 21.844 -0.146 -4.141 64 H GLY 13 H GLY 13 14.761 2.632 -6.704 65 HA2 GLY 13 1HA GLY 13 13.354 4.588 -5.272 66 HA3 GLY 13 2HA GLY 13 12.971 4.053 -6.901 67 H GLN 14 H GLN 14 12.017 4.048 -3.644 68 HA GLN 14 HA GLN 14 9.818 2.196 -4.283 69 HB2 GLN 14 1HB GLN 14 11.547 2.371 -1.857 70 HB3 GLN 14 2HB GLN 14 9.863 1.906 -1.653 71 HG2 GLN 14 1HG GLN 14 11.732 0.524 -3.556 72 HG3 GLN 14 2HG GLN 14 11.502 0.021 -1.883 73 HE21 GLN 14 1HE2 GLN 14 10.234 0.006 -5.061 74 HE22 GLN 14 2HE2 GLN 14 8.826 -0.941 -4.739 75 H CYS 15 H CYS 15 8.262 3.674 -4.766 76 HA CYS 15 HA CYS 15 7.806 5.927 -2.979 77 HB2 CYS 15 1HB CYS 15 6.187 6.677 -4.640 78 HB3 CYS 15 2HB CYS 15 7.715 6.280 -5.419 79 HG CYS 15 HG CYS 15 5.127 4.056 -5.336 80 H LEU 16 H LEU 16 5.576 6.396 -2.253 81 HA LEU 16 HA LEU 16 4.326 3.938 -1.265 82 HB2 LEU 16 1HB LEU 16 4.434 6.762 -0.331 83 HB3 LEU 16 2HB LEU 16 3.043 5.780 0.121 84 HG LEU 16 HG LEU 16 4.825 5.874 1.848 85 HD11 LEU 16 1HD1 LEU 16 3.374 4.052 2.039 86 HD12 LEU 16 2HD1 LEU 16 4.984 3.336 2.092 87 HD13 LEU 16 3HD1 LEU 16 4.035 3.259 0.608 88 HD21 LEU 16 1HD2 LEU 16 6.937 4.952 1.540 89 HD22 LEU 16 2HD2 LEU 16 6.662 5.839 0.041 90 HD23 LEU 16 3HD2 LEU 16 6.456 4.087 0.080 91 H VAL 17 H VAL 17 3.061 3.303 -2.988 92 HA VAL 17 HA VAL 17 1.012 5.201 -3.912 93 HB VAL 17 HB VAL 17 0.649 3.531 -5.763 94 HG11 VAL 17 1HG1 VAL 17 2.811 5.395 -5.376 95 HG12 VAL 17 2HG1 VAL 17 3.285 4.104 -6.483 96 HG13 VAL 17 3HG1 VAL 17 1.851 5.075 -6.820 97 HG21 VAL 17 1HG2 VAL 17 3.312 2.396 -4.966 98 HG22 VAL 17 2HG2 VAL 17 1.795 1.676 -4.426 99 HG23 VAL 17 3HG2 VAL 17 2.159 1.779 -6.149 100 H TRP 18 H TRP 18 -1.133 4.757 -3.709 101 HA TRP 18 HA TRP 18 -1.877 2.209 -2.439 102 HB2 TRP 18 1HB TRP 18 -2.844 4.976 -1.695 103 HB3 TRP 18 2HB TRP 18 -3.578 3.484 -1.113 104 HD1 TRP 18 HD TRP 18 -0.008 5.035 -1.110 105 HE1 TRP 18 1HE TRP 18 1.069 4.515 1.169 106 HE3 TRP 18 3HE TRP 18 -3.796 2.308 0.975 107 HZ2 TRP 18 2HZ TRP 18 0.402 3.132 3.537 108 HZ3 TRP 18 3HZ TRP 18 -3.497 1.421 3.251 109 HH2 TRP 18 HH TRP 18 -1.440 1.825 4.503 110 H VAL 19 H VAL 19 -3.830 1.321 -3.051 111 HA VAL 19 HA VAL 19 -5.289 2.731 -5.189 112 HB VAL 19 HB VAL 19 -5.764 0.447 -6.155 113 HG11 VAL 19 1HG1 VAL 19 -3.651 0.326 -7.357 114 HG12 VAL 19 2HG1 VAL 19 -4.154 2.005 -7.151 115 HG13 VAL 19 3HG1 VAL 19 -2.881 1.333 -6.131 116 HG21 VAL 19 1HG2 VAL 19 -5.188 -0.906 -4.230 117 HG22 VAL 19 2HG2 VAL 19 -4.166 -1.346 -5.598 118 HG23 VAL 19 3HG2 VAL 19 -3.519 -0.342 -4.301 119 H GLN 20 H GLN 20 -7.472 2.728 -5.067 120 HA GLN 20 HA GLN 20 -8.654 1.577 -2.658 121 HB2 GLN 20 1HB GLN 20 -8.976 4.013 -3.439 122 HB3 GLN 20 2HB GLN 20 -10.076 3.342 -4.635 123 HG2 GLN 20 1HG GLN 20 -11.261 2.239 -2.658 124 HG3 GLN 20 2HG GLN 20 -10.334 3.351 -1.652 125 HE21 GLN 20 1HE2 GLN 20 -11.898 4.676 -0.946 126 HE22 GLN 20 2HE2 GLN 20 -12.906 5.639 -1.966 127 H CYS 21 H CYS 21 -10.080 -0.061 -2.656 128 HA CYS 21 HA CYS 21 -10.281 -1.846 -4.756 129 HB2 CYS 21 1HB CYS 21 -10.875 -2.199 -2.296 130 HB3 CYS 21 2HB CYS 21 -12.445 -1.504 -2.685 131 H SER 22 H SER 22 -12.093 -2.447 -6.097 132 HA SER 22 HA SER 22 -13.349 -0.124 -7.278 133 HB2 SER 22 1HB SER 22 -12.583 -1.592 -8.922 134 HB3 SER 22 2HB SER 22 -13.111 -3.021 -8.034 135 HG SER 22 HG SER 22 -14.411 -2.344 -9.922 136 H PHE 23 H PHE 23 -14.228 -2.784 -5.226 137 HA PHE 23 HA PHE 23 -17.054 -2.558 -5.613 138 HB2 PHE 23 1HB PHE 23 -15.454 -3.876 -3.410 139 HB3 PHE 23 2HB PHE 23 -17.195 -4.031 -3.614 140 HD1 PHE 23 2HD PHE 23 -17.874 -4.751 -6.115 141 HD2 PHE 23 1HD PHE 23 -14.168 -5.593 -4.198 142 HE1 PHE 23 2HE PHE 23 -17.527 -6.657 -7.631 143 HE2 PHE 23 1HE PHE 23 -13.814 -7.499 -5.713 144 HZ PHE 23 HZ PHE 23 -15.495 -8.035 -7.431 145 HA PRO 24 HA PRO 24 -17.917 0.872 -2.997 146 HB2 PRO 24 1HB PRO 24 -20.496 0.306 -2.366 147 HB3 PRO 24 2HB PRO 24 -20.003 0.891 -3.959 148 HG2 PRO 24 1HG PRO 24 -20.584 -1.906 -3.065 149 HG3 PRO 24 2HG PRO 24 -21.063 -1.089 -4.564 150 HD2 PRO 24 1HD PRO 24 -18.977 -2.812 -4.446 151 HD3 PRO 24 2HD PRO 24 -19.006 -1.423 -5.550 152 H ASN 25 H ASN 25 -19.170 -2.238 -1.772 153 HA ASN 25 HA ASN 25 -19.338 -1.540 0.916 154 HB2 ASN 25 1HB ASN 25 -18.689 -4.258 -0.248 155 HB3 ASN 25 2HB ASN 25 -19.287 -3.951 1.380 156 HD21 ASN 25 1HD2 ASN 25 -21.368 -2.633 1.411 157 HD22 ASN 25 2HD2 ASN 25 -22.583 -3.114 0.281 158 H CYS 26 H CYS 26 -16.579 -2.279 -1.032 159 HA CYS 26 HA CYS 26 -14.838 -2.734 1.244 160 HB2 CYS 26 1HB CYS 26 -14.710 -3.158 -1.625 161 HB3 CYS 26 2HB CYS 26 -13.247 -2.384 -1.023 162 H GLY 27 H GLY 27 -14.340 -0.593 -1.551 163 HA2 GLY 27 1HA GLY 27 -13.416 1.508 -1.677 164 HA3 GLY 27 2HA GLY 27 -14.457 1.865 -0.307 165 H LYS 28 H LYS 28 -11.923 -0.525 -0.120 166 HA LYS 28 HA LYS 28 -10.602 1.098 1.917 167 HB2 LYS 28 1HB LYS 28 -10.221 -1.800 1.142 168 HB3 LYS 28 2HB LYS 28 -9.385 -0.991 2.461 169 HG2 LYS 28 1HG LYS 28 -11.554 -0.580 3.551 170 HG3 LYS 28 2HG LYS 28 -12.351 -1.466 2.250 171 HD2 LYS 28 1HD LYS 28 -11.125 -3.479 2.835 172 HD3 LYS 28 2HD LYS 28 -10.242 -2.601 4.086 173 HE2 LYS 28 1HE LYS 28 -12.122 -3.974 4.958 174 HE3 LYS 28 2HE LYS 28 -12.251 -2.260 5.350 175 HZ1 LYS 28 1HZ LYS 28 -14.068 -2.011 4.067 176 HZ2 LYS 28 2HZ LYS 28 -14.249 -3.671 4.335 177 HZ3 LYS 28 3HZ LYS 28 -13.553 -3.118 2.896 178 H TRP 29 H TRP 29 -8.388 1.564 1.883 179 HA TRP 29 HA TRP 29 -7.252 1.674 -0.809 180 HB2 TRP 29 1HB TRP 29 -6.685 3.152 1.749 181 HB3 TRP 29 2HB TRP 29 -5.541 3.181 0.410 182 HD1 TRP 29 HD TRP 29 -8.735 4.743 1.608 183 HE1 TRP 29 1HE TRP 29 -9.566 6.457 -0.124 184 HE3 TRP 29 3HE TRP 29 -5.603 3.573 -2.260 185 HZ2 TRP 29 2HZ TRP 29 -8.972 7.212 -2.778 186 HZ3 TRP 29 3HZ TRP 29 -5.800 4.838 -4.361 187 HH2 TRP 29 HH TRP 29 -7.451 6.619 -4.613 188 H ARG 30 H ARG 30 -6.192 -0.161 -1.288 189 HA ARG 30 HA ARG 30 -4.631 -1.548 0.723 190 HB2 ARG 30 1HB ARG 30 -4.942 -2.169 -2.220 191 HB3 ARG 30 2HB ARG 30 -4.273 -3.234 -0.991 192 HG2 ARG 30 1HG ARG 30 -7.075 -2.206 -0.773 193 HG3 ARG 30 2HG ARG 30 -6.690 -3.609 -1.771 194 HD2 ARG 30 1HD ARG 30 -7.027 -4.762 0.127 195 HD3 ARG 30 2HD ARG 30 -5.392 -4.236 0.524 196 HE ARG 30 HE ARG 30 -6.894 -2.218 1.472 197 HH11 ARG 30 1HH1 ARG 30 -7.096 -5.673 1.849 198 HH12 ARG 30 2HH1 ARG 30 -7.797 -5.591 3.431 199 HH21 ARG 30 1HH2 ARG 30 -7.817 -2.096 3.555 200 HH22 ARG 30 2HH2 ARG 30 -8.208 -3.556 4.400 201 H ARG 31 H ARG 31 -2.465 -1.524 0.926 202 HA ARG 31 HA ARG 31 -0.989 0.456 -0.579 203 HB2 ARG 31 1HB ARG 31 0.844 -0.042 0.971 204 HB3 ARG 31 2HB ARG 31 -0.654 0.277 1.835 205 HG2 ARG 31 1HG ARG 31 -0.979 -2.202 2.000 206 HG3 ARG 31 2HG ARG 31 0.651 -2.387 1.351 207 HD2 ARG 31 1HD ARG 31 1.383 -0.842 3.255 208 HD3 ARG 31 2HD ARG 31 -0.206 -1.156 3.953 209 HE ARG 31 HE ARG 31 0.882 -3.626 3.382 210 HH11 ARG 31 1HH1 ARG 31 1.693 -0.886 5.370 211 HH12 ARG 31 2HH1 ARG 31 2.519 -1.831 6.564 212 HH21 ARG 31 1HH2 ARG 31 1.967 -4.882 4.947 213 HH22 ARG 31 2HH2 ARG 31 2.675 -4.104 6.322 214 H LEU 32 H LEU 32 0.427 0.090 -2.180 215 HA LEU 32 HA LEU 32 0.902 -2.707 -2.952 216 HB2 LEU 32 1HB LEU 32 0.921 -0.165 -4.564 217 HB3 LEU 32 2HB LEU 32 1.460 -1.721 -5.192 218 HG LEU 32 HG LEU 32 -1.330 -1.202 -4.176 219 HD11 LEU 32 1HD1 LEU 32 -0.306 -1.172 -7.012 220 HD12 LEU 32 2HD1 LEU 32 -0.872 0.227 -6.099 221 HD13 LEU 32 3HD1 LEU 32 -1.997 -1.066 -6.518 222 HD21 LEU 32 1HD2 LEU 32 -1.859 -3.312 -4.862 223 HD22 LEU 32 2HD2 LEU 32 -0.177 -3.571 -4.398 224 HD23 LEU 32 3HD2 LEU 32 -0.600 -3.348 -6.097 225 H CYS 33 H CYS 33 3.017 -3.065 -4.122 226 HA CYS 33 HA CYS 33 5.163 -2.586 -2.432 227 HB2 CYS 33 1HB CYS 33 5.164 -4.387 -4.081 228 HB3 CYS 33 2HB CYS 33 5.204 -3.214 -5.391 229 HG CYS 33 HG CYS 33 7.734 -4.115 -5.412 230 H GLY 34 H GLY 34 5.036 -1.276 -5.743 231 HA2 GLY 34 1HA GLY 34 5.208 1.418 -5.197 232 HA3 GLY 34 2HA GLY 34 6.859 0.826 -5.097 233 H ASN 35 H ASN 35 6.900 -1.054 -7.109 234 HA ASN 35 HA ASN 35 7.411 0.487 -9.371 235 HB2 ASN 35 1HB ASN 35 7.281 -1.797 -10.575 236 HB3 ASN 35 2HB ASN 35 8.487 -1.594 -9.308 237 HD21 ASN 35 1HD2 ASN 35 5.445 -3.052 -10.167 238 HD22 ASN 35 2HD2 ASN 35 5.404 -4.199 -8.875 239 H ILE 36 H ILE 36 4.453 -0.859 -8.211 240 HA ILE 36 HA ILE 36 3.067 -0.722 -10.730 241 HB ILE 36 HB ILE 36 1.926 -0.999 -7.948 242 HG12 ILE 36 1HG1 ILE 36 2.491 -3.159 -9.987 243 HG13 ILE 36 2HG1 ILE 36 3.538 -2.799 -8.618 244 HG21 ILE 36 1HG2 ILE 36 0.720 -0.713 -10.554 245 HG22 ILE 36 2HG2 ILE 36 0.264 -2.240 -9.801 246 HG23 ILE 36 3HG2 ILE 36 -0.035 -0.719 -8.961 247 HD11 ILE 36 1HD1 ILE 36 1.891 -4.734 -8.400 248 HD12 ILE 36 2HD1 ILE 36 1.976 -3.573 -7.074 249 HD13 ILE 36 3HD1 ILE 36 0.651 -3.491 -8.235 250 H ASP 37 H ASP 37 1.737 0.859 -11.473 251 HA ASP 37 HA ASP 37 1.453 3.273 -9.809 252 HB2 ASP 37 1HB ASP 37 2.855 3.030 -12.245 253 HB3 ASP 37 2HB ASP 37 1.372 3.905 -12.615 254 HA PRO 38 HA PRO 38 -2.871 3.012 -10.528 255 HB2 PRO 38 1HB PRO 38 -3.554 5.635 -10.365 256 HB3 PRO 38 2HB PRO 38 -3.098 4.672 -8.955 257 HG2 PRO 38 1HG PRO 38 -1.447 6.592 -10.552 258 HG3 PRO 38 2HG PRO 38 -1.540 6.391 -8.793 259 HD2 PRO 38 1HD PRO 38 0.479 5.359 -10.271 260 HD3 PRO 38 2HD PRO 38 -0.124 4.573 -8.799 261 H SER 39 H SER 39 -0.834 4.906 -12.590 262 HA SER 39 HA SER 39 -2.867 5.613 -14.485 263 HB2 SER 39 1HB SER 39 0.103 5.863 -14.337 264 HB3 SER 39 2HB SER 39 -0.660 5.975 -15.923 265 HG SER 39 HG SER 39 -0.519 8.022 -14.972 266 H VAL 40 H VAL 40 -0.796 2.893 -13.957 267 HA VAL 40 HA VAL 40 -1.600 1.752 -16.552 268 HB VAL 40 HB VAL 40 0.282 0.193 -16.310 269 HG11 VAL 40 1HG1 VAL 40 1.100 3.081 -16.008 270 HG12 VAL 40 2HG1 VAL 40 2.082 1.790 -16.704 271 HG13 VAL 40 3HG1 VAL 40 0.598 2.304 -17.509 272 HG21 VAL 40 1HG2 VAL 40 0.176 0.848 -13.637 273 HG22 VAL 40 2HG2 VAL 40 1.449 -0.084 -14.424 274 HG23 VAL 40 3HG2 VAL 40 1.644 1.653 -14.192 275 H LEU 41 H LEU 41 -3.157 1.826 -14.019 276 HA LEU 41 HA LEU 41 -3.361 -1.068 -13.511 277 HB2 LEU 41 1HB LEU 41 -3.848 1.332 -11.807 278 HB3 LEU 41 2HB LEU 41 -4.751 -0.147 -11.487 279 HG LEU 41 HG LEU 41 -1.752 -0.149 -11.612 280 HD11 LEU 41 1HD1 LEU 41 -2.514 -0.166 -8.928 281 HD12 LEU 41 2HD1 LEU 41 -3.400 1.172 -9.657 282 HD13 LEU 41 3HD1 LEU 41 -1.643 1.105 -9.786 283 HD21 LEU 41 1HD2 LEU 41 -3.015 -2.285 -11.693 284 HD22 LEU 41 2HD2 LEU 41 -3.709 -1.891 -10.120 285 HD23 LEU 41 3HD2 LEU 41 -1.970 -2.136 -10.280 286 HA PRO 42 HA PRO 42 -7.362 -1.191 -15.314 287 HB2 PRO 42 1HB PRO 42 -8.576 -3.066 -13.771 288 HB3 PRO 42 2HB PRO 42 -7.323 -3.460 -14.955 289 HG2 PRO 42 1HG PRO 42 -7.089 -3.119 -11.990 290 HG3 PRO 42 2HG PRO 42 -6.363 -4.354 -13.035 291 HD2 PRO 42 1HD PRO 42 -4.978 -2.207 -12.139 292 HD3 PRO 42 2HD PRO 42 -4.661 -2.958 -13.716 293 H ASP 43 H ASP 43 -9.567 -0.636 -15.004 294 HA ASP 43 HA ASP 43 -9.983 1.280 -12.895 295 HB2 ASP 43 1HB ASP 43 -11.473 0.426 -15.337 296 HB3 ASP 43 2HB ASP 43 -12.366 1.254 -14.064 297 H ASN 44 H ASN 44 -10.831 -2.019 -13.516 298 HA ASN 44 HA ASN 44 -12.759 -2.022 -11.308 299 HB2 ASN 44 1HB ASN 44 -13.266 -4.349 -12.098 300 HB3 ASN 44 2HB ASN 44 -13.591 -3.095 -13.291 301 HD21 ASN 44 1HD2 ASN 44 -13.504 -5.034 -14.698 302 HD22 ASN 44 2HD2 ASN 44 -11.967 -5.490 -15.342 303 H TRP 45 H TRP 45 -9.982 -1.691 -10.744 304 HA TRP 45 HA TRP 45 -8.789 -4.145 -9.960 305 HB2 TRP 45 1HB TRP 45 -7.522 -2.040 -10.364 306 HB3 TRP 45 2HB TRP 45 -8.229 -1.369 -8.896 307 HD1 TRP 45 HD TRP 45 -5.442 -3.593 -10.104 308 HE1 TRP 45 1HE TRP 45 -4.028 -4.368 -8.097 309 HE3 TRP 45 3HE TRP 45 -8.480 -2.006 -6.311 310 HZ2 TRP 45 2HZ TRP 45 -4.181 -4.313 -5.279 311 HZ3 TRP 45 3HZ TRP 45 -7.773 -2.406 -3.988 312 HH2 TRP 45 HH TRP 45 -5.669 -3.537 -3.485 313 H SER 46 H SER 46 -8.637 -5.113 -7.945 314 HA SER 46 HA SER 46 -10.309 -4.035 -5.793 315 HB2 SER 46 1HB SER 46 -11.068 -6.481 -5.407 316 HB3 SER 46 2HB SER 46 -11.839 -5.565 -6.702 317 HG SER 46 HG SER 46 -10.271 -7.797 -6.836 318 H CYS 47 H CYS 47 -10.027 -5.573 -3.784 319 HA CYS 47 HA CYS 47 -7.365 -5.375 -2.957 320 HB2 CYS 47 1HB CYS 47 -9.471 -7.210 -1.797 321 HB3 CYS 47 2HB CYS 47 -8.045 -6.585 -0.974 322 H ASP 48 H ASP 48 -9.103 -7.975 -4.508 323 HA ASP 48 HA ASP 48 -7.314 -10.077 -3.958 324 HB2 ASP 48 1HB ASP 48 -9.534 -10.529 -4.819 325 HB3 ASP 48 2HB ASP 48 -9.174 -9.653 -6.304 326 H GLN 49 H GLN 49 -7.031 -7.346 -5.984 327 HA GLN 49 HA GLN 49 -4.892 -8.576 -7.564 328 HB2 GLN 49 1HB GLN 49 -6.386 -5.972 -7.869 329 HB3 GLN 49 2HB GLN 49 -4.998 -6.408 -8.856 330 HG2 GLN 49 1HG GLN 49 -6.166 -8.293 -9.768 331 HG3 GLN 49 2HG GLN 49 -7.524 -8.030 -8.675 332 HE21 GLN 49 1HE2 GLN 49 -9.201 -7.202 -9.670 333 HE22 GLN 49 2HE2 GLN 49 -9.165 -6.047 -10.954 334 H ASN 50 H ASN 50 -4.575 -7.940 -4.738 335 HA ASN 50 HA ASN 50 -2.715 -5.680 -4.788 336 HB2 ASN 50 1HB ASN 50 -4.563 -6.166 -2.965 337 HB3 ASN 50 2HB ASN 50 -3.322 -7.222 -2.298 338 HD21 ASN 50 1HD2 ASN 50 -2.440 -6.230 -0.637 339 HD22 ASN 50 2HD2 ASN 50 -1.909 -4.586 -0.600 340 H THR 51 H THR 51 -0.576 -5.877 -3.983 341 HA THR 51 HA THR 51 0.615 -8.464 -4.581 342 HB THR 51 HB THR 51 2.743 -7.340 -4.581 343 HG1 THR 51 1HG THR 51 2.490 -5.934 -2.837 344 HG21 THR 51 1HG2 THR 51 1.469 -7.047 -6.609 345 HG22 THR 51 2HG2 THR 51 2.328 -5.548 -6.256 346 HG23 THR 51 3HG2 THR 51 0.603 -5.678 -5.913 347 H ASP 52 H ASP 52 -0.194 -6.525 -1.853 348 HA ASP 52 HA ASP 52 1.616 -7.934 -0.066 349 HB2 ASP 52 1HB ASP 52 1.082 -5.470 0.159 350 HB3 ASP 52 2HB ASP 52 -0.531 -5.947 0.682 351 H VAL 53 H VAL 53 1.061 -9.938 0.487 352 HA VAL 53 HA VAL 53 -1.463 -11.085 0.329 353 HB VAL 53 HB VAL 53 -0.614 -12.882 1.744 354 HG11 VAL 53 1HG1 VAL 53 0.970 -11.772 -0.489 355 HG12 VAL 53 2HG1 VAL 53 1.733 -13.049 0.460 356 HG13 VAL 53 3HG1 VAL 53 0.181 -13.340 -0.326 357 HG21 VAL 53 1HG2 VAL 53 1.713 -11.034 2.262 358 HG22 VAL 53 2HG2 VAL 53 0.512 -11.562 3.441 359 HG23 VAL 53 3HG2 VAL 53 1.633 -12.730 2.740 360 H GLN 54 H GLN 54 -0.087 -9.075 2.791 361 HA GLN 54 HA GLN 54 -1.789 -9.803 4.930 362 HB2 GLN 54 1HB GLN 54 -0.450 -7.136 4.459 363 HB3 GLN 54 2HB GLN 54 -1.043 -7.756 5.994 364 HG2 GLN 54 1HG GLN 54 0.643 -9.726 5.373 365 HG3 GLN 54 2HG GLN 54 1.424 -8.405 4.507 366 HE21 GLN 54 1HE2 GLN 54 1.228 -9.993 7.396 367 HE22 GLN 54 2HE2 GLN 54 1.917 -8.790 8.426 368 H TYR 55 H TYR 55 -2.240 -7.857 2.123 369 HA TYR 55 HA TYR 55 -4.986 -7.315 2.955 370 HB2 TYR 55 1HB TYR 55 -3.194 -5.152 1.833 371 HB3 TYR 55 2HB TYR 55 -4.881 -4.979 2.305 372 HD1 TYR 55 2HD TYR 55 -1.464 -5.568 3.596 373 HD2 TYR 55 1HD TYR 55 -5.483 -4.555 4.558 374 HE1 TYR 55 2HE TYR 55 -0.757 -4.945 5.868 375 HE2 TYR 55 1HE TYR 55 -4.787 -3.927 6.832 376 HH TYR 55 HH TYR 55 -2.555 -4.757 8.368 377 H ASN 56 H ASN 56 -4.454 -9.264 1.248 378 HA ASN 56 HA ASN 56 -4.877 -8.139 -1.439 379 HB2 ASN 56 1HB ASN 56 -3.837 -9.997 -2.374 380 HB3 ASN 56 2HB ASN 56 -2.905 -9.762 -0.899 381 HD21 ASN 56 1HD2 ASN 56 -3.375 -11.116 0.916 382 HD22 ASN 56 2HD2 ASN 56 -4.032 -12.695 0.669 383 H ARG 57 H ARG 57 -6.839 -8.663 0.801 384 HA ARG 57 HA ARG 57 -8.744 -10.200 -0.822 385 HB2 ARG 57 1HB ARG 57 -8.413 -10.473 2.172 386 HB3 ARG 57 2HB ARG 57 -9.633 -11.275 1.193 387 HG2 ARG 57 1HG ARG 57 -6.999 -11.802 0.162 388 HG3 ARG 57 2HG ARG 57 -7.108 -12.232 1.871 389 HD2 ARG 57 1HD ARG 57 -9.192 -13.501 1.336 390 HD3 ARG 57 2HD ARG 57 -8.881 -13.186 -0.371 391 HE ARG 57 HE ARG 57 -6.635 -14.385 0.900 392 HH11 ARG 57 1HH1 ARG 57 -9.775 -15.070 -0.439 393 HH12 ARG 57 2HH1 ARG 57 -9.395 -16.716 -0.825 394 HH21 ARG 57 1HH2 ARG 57 -6.123 -16.550 0.396 395 HH22 ARG 57 2HH2 ARG 57 -7.318 -17.557 -0.348 396 H CYS 58 H CYS 58 -10.971 -9.681 -0.439 397 HA CYS 58 HA CYS 58 -11.343 -6.884 0.173 398 HB2 CYS 58 1HB CYS 58 -13.126 -9.060 -0.893 399 HB3 CYS 58 2HB CYS 58 -13.787 -7.503 -0.405 400 H ASP 59 H ASP 59 -11.174 -9.562 2.047 401 HA ASP 59 HA ASP 59 -13.302 -8.756 3.891 402 HB2 ASP 59 1HB ASP 59 -12.823 -11.205 3.149 403 HB3 ASP 59 2HB ASP 59 -11.500 -11.121 4.310 404 H ILE 60 H ILE 60 -9.876 -8.681 3.485 405 HA ILE 60 HA ILE 60 -9.166 -8.339 6.220 406 HB ILE 60 HB ILE 60 -7.659 -7.517 3.735 407 HG12 ILE 60 1HG1 ILE 60 -7.130 -9.932 5.454 408 HG13 ILE 60 2HG1 ILE 60 -8.270 -9.995 4.114 409 HG21 ILE 60 1HG2 ILE 60 -7.169 -6.935 6.462 410 HG22 ILE 60 2HG2 ILE 60 -5.966 -8.112 5.940 411 HG23 ILE 60 3HG2 ILE 60 -6.147 -6.591 5.067 412 HD11 ILE 60 1HD1 ILE 60 -6.430 -10.683 3.012 413 HD12 ILE 60 2HD1 ILE 60 -6.177 -8.946 2.839 414 HD13 ILE 60 3HD1 ILE 60 -5.326 -9.840 4.098 415 HA PRO 61 HA PRO 61 -10.579 -4.152 6.662 416 HB2 PRO 61 1HB PRO 61 -9.516 -3.733 9.124 417 HB3 PRO 61 2HB PRO 61 -10.978 -4.690 8.860 418 HG2 PRO 61 1HG PRO 61 -8.162 -5.613 9.282 419 HG3 PRO 61 2HG PRO 61 -9.665 -6.256 9.969 420 HD2 PRO 61 1HD PRO 61 -8.411 -7.415 7.867 421 HD3 PRO 61 2HD PRO 61 -10.175 -7.446 8.062 422 H GLU 62 H GLU 62 -9.674 -2.023 6.891 423 HA GLU 62 HA GLU 62 -7.191 -1.711 5.562 424 HB2 GLU 62 1HB GLU 62 -8.871 0.314 7.051 425 HB3 GLU 62 2HB GLU 62 -7.511 0.707 6.008 426 HG2 GLU 62 1HG GLU 62 -8.647 0.068 4.079 427 HG3 GLU 62 2HG GLU 62 -9.844 -0.860 4.981 428 H GLU 63 H GLU 63 -5.245 -0.794 6.326 429 HA GLU 63 HA GLU 63 -4.413 -1.753 8.858 430 HB2 GLU 63 1HB GLU 63 -2.897 -1.526 6.920 431 HB3 GLU 63 2HB GLU 63 -3.036 0.223 7.031 432 HG2 GLU 63 1HG GLU 63 -2.232 -0.267 9.516 433 HG3 GLU 63 2HG GLU 63 -1.527 -1.674 8.724 434 H THR 64 H THR 64 -4.226 1.617 7.722 435 HA THR 64 HA THR 64 -3.938 2.814 10.190 436 HB THR 64 HB THR 64 -5.605 4.302 8.241 437 HG1 THR 64 1HG THR 64 -4.359 3.855 6.601 438 HG21 THR 64 1HG2 THR 64 -3.845 6.012 8.655 439 HG22 THR 64 2HG2 THR 64 -3.037 4.866 9.726 440 HG23 THR 64 3HG2 THR 64 -4.648 5.463 10.125 441 H TRP 65 H TRP 65 -5.329 3.747 11.685 442 HA TRP 65 HA TRP 65 -8.028 2.610 11.699 443 HB2 TRP 65 1HB TRP 65 -8.020 3.288 14.111 444 HB3 TRP 65 2HB TRP 65 -6.762 2.131 13.687 445 HD1 TRP 65 HD TRP 65 -7.067 5.988 14.080 446 HE1 TRP 65 1HE TRP 65 -4.865 6.849 15.098 447 HE3 TRP 65 3HE TRP 65 -4.491 1.576 14.297 448 HZ2 TRP 65 2HZ TRP 65 -2.367 5.798 15.887 449 HZ3 TRP 65 3HZ TRP 65 -2.201 1.591 15.196 450 HH2 TRP 65 HH TRP 65 -1.163 3.659 15.974 451 H THR 66 H THR 66 -7.203 4.972 10.099 452 HA THR 66 HA THR 66 -8.206 7.336 11.278 453 HB THR 66 HB THR 66 -8.196 6.761 8.317 454 HG1 THR 66 1HG THR 66 -6.036 7.271 8.307 455 HG21 THR 66 1HG2 THR 66 -7.644 9.334 9.787 456 HG22 THR 66 2HG2 THR 66 -9.247 8.872 9.217 457 HG23 THR 66 3HG2 THR 66 -7.937 9.113 8.063 458 H GLY 67 H GLY 67 -9.678 5.432 8.635 459 HA2 GLY 67 1HA GLY 67 -12.067 4.712 9.381 460 HA3 GLY 67 2HA GLY 67 -12.302 6.452 9.471 461 H LEU 68 H LEU 68 -12.977 7.474 7.697 462 HA LEU 68 HA LEU 68 -12.220 6.814 5.064 463 HB2 LEU 68 1HB LEU 68 -14.449 6.043 4.256 464 HB3 LEU 68 2HB LEU 68 -13.586 4.884 5.264 465 HG LEU 68 HG LEU 68 -15.086 5.970 7.160 466 HD11 LEU 68 1HD1 LEU 68 -16.174 7.635 5.855 467 HD12 LEU 68 2HD1 LEU 68 -17.365 6.385 6.211 468 HD13 LEU 68 3HD1 LEU 68 -16.618 6.462 4.615 469 HD21 LEU 68 1HD2 LEU 68 -15.020 3.593 5.854 470 HD22 LEU 68 2HD2 LEU 68 -16.662 4.129 5.500 471 HD23 LEU 68 3HD2 LEU 68 -16.125 3.978 7.174 472 H GLU 69 H GLU 69 -13.946 7.867 3.463 473 HA GLU 69 HA GLU 69 -14.540 10.514 4.600 474 HB2 GLU 69 1HB GLU 69 -14.009 9.670 1.748 475 HB3 GLU 69 2HB GLU 69 -14.489 11.292 2.224 476 HG2 GLU 69 1HG GLU 69 -12.103 10.082 3.516 477 HG3 GLU 69 2HG GLU 69 -11.969 10.659 1.856 Start of MODEL 15 1 H1 GLY 1 H GLY 1 27.353 2.548 16.192 2 HA2 GLY 1 1HA GLY 1 29.560 4.128 15.024 3 HA3 GLY 1 2HA GLY 1 29.200 2.468 14.576 4 H SER 2 H SER 2 29.301 5.117 13.082 5 HA SER 2 HA SER 2 26.566 5.346 12.112 6 HB2 SER 2 1HB SER 2 28.948 6.841 11.030 7 HB3 SER 2 2HB SER 2 27.251 7.317 11.005 8 HG SER 2 HG SER 2 28.550 6.926 13.464 9 H SER 3 H SER 3 29.729 4.256 11.016 10 HA SER 3 HA SER 3 29.203 3.886 8.314 11 HB2 SER 3 1HB SER 3 31.445 3.616 8.946 12 HB3 SER 3 2HB SER 3 31.041 2.494 10.245 13 HG SER 3 HG SER 3 30.905 0.885 8.842 14 H GLY 4 H GLY 4 28.275 1.958 11.078 15 HA2 GLY 4 1HA GLY 4 27.111 -0.065 9.279 16 HA3 GLY 4 2HA GLY 4 27.467 -0.310 10.983 17 H SER 5 H SER 5 25.098 -1.135 10.437 18 HA SER 5 HA SER 5 22.867 -0.930 10.839 19 HB2 SER 5 1HB SER 5 23.492 1.526 12.468 20 HB3 SER 5 2HB SER 5 22.230 0.323 12.734 21 HG SER 5 HG SER 5 23.601 -0.695 13.939 22 H SER 6 H SER 6 23.827 0.293 8.481 23 HA SER 6 HA SER 6 21.613 2.032 7.912 24 HB2 SER 6 1HB SER 6 23.261 3.615 8.901 25 HB3 SER 6 2HB SER 6 24.410 3.161 7.642 26 HG SER 6 HG SER 6 23.334 4.317 6.231 27 H GLY 7 H GLY 7 20.959 1.663 5.891 28 HA2 GLY 7 1HA GLY 7 22.501 -0.069 4.190 29 HA3 GLY 7 2HA GLY 7 20.914 0.599 3.837 30 H GLU 8 H GLU 8 21.768 0.880 1.662 31 HA GLU 8 HA GLU 8 23.733 3.024 1.362 32 HB2 GLU 8 1HB GLU 8 23.916 0.903 0.029 33 HB3 GLU 8 2HB GLU 8 22.433 1.361 -0.798 34 HG2 GLU 8 1HG GLU 8 23.438 3.124 -1.905 35 HG3 GLU 8 2HG GLU 8 24.763 3.227 -0.748 36 H ILE 9 H ILE 9 22.438 4.774 2.033 37 HA ILE 9 HA ILE 9 20.020 5.362 0.520 38 HB ILE 9 HB ILE 9 21.304 7.022 2.689 39 HG12 ILE 9 1HG1 ILE 9 20.745 4.753 3.496 40 HG13 ILE 9 2HG1 ILE 9 19.731 5.986 4.236 41 HG21 ILE 9 1HG2 ILE 9 18.700 7.117 1.230 42 HG22 ILE 9 2HG2 ILE 9 18.805 7.720 2.883 43 HG23 ILE 9 3HG2 ILE 9 19.815 8.426 1.621 44 HD11 ILE 9 1HD1 ILE 9 17.932 5.420 2.671 45 HD12 ILE 9 2HD1 ILE 9 18.949 4.153 1.984 46 HD13 ILE 9 3HD1 ILE 9 18.420 4.046 3.663 47 H SER 10 H SER 10 21.412 5.514 -1.471 48 HA SER 10 HA SER 10 22.714 8.142 -1.693 49 HB2 SER 10 1HB SER 10 22.977 5.642 -3.376 50 HB3 SER 10 2HB SER 10 23.708 7.189 -3.803 51 HG SER 10 HG SER 10 25.295 6.457 -2.624 52 H GLY 11 H GLY 11 20.648 5.940 -3.598 53 HA2 GLY 11 1HA GLY 11 18.949 8.157 -4.362 54 HA3 GLY 11 2HA GLY 11 19.893 7.478 -5.681 55 H PHE 12 H PHE 12 18.027 6.151 -2.944 56 HA PHE 12 HA PHE 12 17.112 3.946 -4.539 57 HB2 PHE 12 1HB PHE 12 17.537 4.113 -1.940 58 HB3 PHE 12 2HB PHE 12 15.859 4.647 -1.916 59 HD1 PHE 12 1HD PHE 12 18.116 1.853 -2.668 60 HD2 PHE 12 2HD PHE 12 14.066 3.128 -2.360 61 HE1 PHE 12 1HE PHE 12 17.376 -0.492 -2.739 62 HE2 PHE 12 2HE PHE 12 13.320 0.785 -2.429 63 HZ PHE 12 HZ PHE 12 14.975 -1.029 -2.618 64 H GLY 13 H GLY 13 15.426 6.620 -2.876 65 HA2 GLY 13 1HA GLY 13 13.661 7.907 -3.696 66 HA3 GLY 13 2HA GLY 13 13.596 6.871 -5.114 67 H GLN 14 H GLN 14 12.585 7.249 -1.783 68 HA GLN 14 HA GLN 14 10.966 4.857 -1.821 69 HB2 GLN 14 1HB GLN 14 11.250 7.091 0.190 70 HB3 GLN 14 2HB GLN 14 10.187 5.708 0.416 71 HG2 GLN 14 1HG GLN 14 12.026 4.201 0.465 72 HG3 GLN 14 2HG GLN 14 13.147 5.465 -0.039 73 HE21 GLN 14 1HE2 GLN 14 14.482 5.630 1.645 74 HE22 GLN 14 2HE2 GLN 14 13.998 5.965 3.269 75 H CYS 15 H CYS 15 8.976 4.728 -2.604 76 HA CYS 15 HA CYS 15 7.352 7.180 -2.745 77 HB2 CYS 15 1HB CYS 15 7.551 5.003 -4.836 78 HB3 CYS 15 2HB CYS 15 6.408 6.340 -4.881 79 HG CYS 15 HG CYS 15 7.963 7.803 -6.292 80 H LEU 16 H LEU 16 5.218 6.995 -2.213 81 HA LEU 16 HA LEU 16 4.332 4.339 -1.294 82 HB2 LEU 16 1HB LEU 16 3.886 7.082 -0.172 83 HB3 LEU 16 2HB LEU 16 2.781 5.760 0.199 84 HG LEU 16 HG LEU 16 5.036 4.561 0.907 85 HD11 LEU 16 1HD1 LEU 16 6.750 5.997 0.607 86 HD12 LEU 16 2HD1 LEU 16 6.231 6.597 2.182 87 HD13 LEU 16 3HD1 LEU 16 5.719 7.424 0.712 88 HD21 LEU 16 1HD2 LEU 16 4.514 6.178 3.125 89 HD22 LEU 16 2HD2 LEU 16 3.818 4.599 2.764 90 HD23 LEU 16 3HD2 LEU 16 2.986 6.068 2.252 91 H VAL 17 H VAL 17 2.853 3.510 -2.603 92 HA VAL 17 HA VAL 17 0.898 5.329 -3.853 93 HB VAL 17 HB VAL 17 0.639 3.527 -5.598 94 HG11 VAL 17 1HG1 VAL 17 3.399 4.216 -6.032 95 HG12 VAL 17 2HG1 VAL 17 1.952 4.818 -6.844 96 HG13 VAL 17 3HG1 VAL 17 2.516 5.587 -5.360 97 HG21 VAL 17 1HG2 VAL 17 2.273 1.828 -5.830 98 HG22 VAL 17 2HG2 VAL 17 3.278 2.520 -4.557 99 HG23 VAL 17 3HG2 VAL 17 1.735 1.768 -4.152 100 H TRP 18 H TRP 18 -1.243 4.865 -3.686 101 HA TRP 18 HA TRP 18 -1.994 2.381 -2.299 102 HB2 TRP 18 1HB TRP 18 -3.086 5.149 -1.749 103 HB3 TRP 18 2HB TRP 18 -3.709 3.658 -1.048 104 HD1 TRP 18 HD TRP 18 -0.367 5.634 -1.120 105 HE1 TRP 18 1HE TRP 18 0.796 5.300 1.152 106 HE3 TRP 18 3HE TRP 18 -3.685 2.386 1.020 107 HZ2 TRP 18 2HZ TRP 18 0.363 3.851 3.536 108 HZ3 TRP 18 3HZ TRP 18 -3.236 1.573 3.298 109 HH2 TRP 18 HH TRP 18 -1.254 2.291 4.529 110 H VAL 19 H VAL 19 -3.855 1.395 -2.980 111 HA VAL 19 HA VAL 19 -5.295 2.689 -5.204 112 HB VAL 19 HB VAL 19 -5.697 0.325 -6.051 113 HG11 VAL 19 1HG1 VAL 19 -2.880 1.404 -6.082 114 HG12 VAL 19 2HG1 VAL 19 -3.549 0.239 -7.227 115 HG13 VAL 19 3HG1 VAL 19 -4.189 1.881 -7.162 116 HG21 VAL 19 1HG2 VAL 19 -3.994 -1.344 -5.408 117 HG22 VAL 19 2HG2 VAL 19 -3.418 -0.244 -4.156 118 HG23 VAL 19 3HG2 VAL 19 -5.052 -0.902 -4.067 119 H GLN 20 H GLN 20 -7.450 2.780 -5.033 120 HA GLN 20 HA GLN 20 -8.686 1.625 -2.664 121 HB2 GLN 20 1HB GLN 20 -9.000 4.047 -3.477 122 HB3 GLN 20 2HB GLN 20 -10.064 3.361 -4.698 123 HG2 GLN 20 1HG GLN 20 -11.241 2.244 -2.674 124 HG3 GLN 20 2HG GLN 20 -10.420 3.494 -1.740 125 HE21 GLN 20 1HE2 GLN 20 -12.167 4.681 -1.173 126 HE22 GLN 20 2HE2 GLN 20 -13.174 5.520 -2.299 127 H CYS 21 H CYS 21 -10.075 -0.039 -2.669 128 HA CYS 21 HA CYS 21 -10.239 -1.840 -4.757 129 HB2 CYS 21 1HB CYS 21 -10.863 -2.168 -2.295 130 HB3 CYS 21 2HB CYS 21 -12.438 -1.508 -2.722 131 H SER 22 H SER 22 -12.060 -2.482 -6.088 132 HA SER 22 HA SER 22 -13.311 -0.178 -7.316 133 HB2 SER 22 1HB SER 22 -12.480 -1.705 -8.901 134 HB3 SER 22 2HB SER 22 -13.121 -3.097 -8.029 135 HG SER 22 HG SER 22 -14.761 -2.917 -9.320 136 H PHE 23 H PHE 23 -14.180 -2.770 -5.193 137 HA PHE 23 HA PHE 23 -17.011 -2.568 -5.615 138 HB2 PHE 23 1HB PHE 23 -15.416 -3.878 -3.403 139 HB3 PHE 23 2HB PHE 23 -17.159 -4.027 -3.603 140 HD1 PHE 23 1HD PHE 23 -17.860 -4.776 -6.078 141 HD2 PHE 23 2HD PHE 23 -14.126 -5.588 -4.204 142 HE1 PHE 23 1HE PHE 23 -17.524 -6.692 -7.585 143 HE2 PHE 23 2HE PHE 23 -13.784 -7.505 -5.708 144 HZ PHE 23 HZ PHE 23 -15.483 -8.059 -7.401 145 HA PRO 24 HA PRO 24 -17.883 0.876 -3.021 146 HB2 PRO 24 1HB PRO 24 -20.461 0.310 -2.388 147 HB3 PRO 24 2HB PRO 24 -19.968 0.885 -3.985 148 HG2 PRO 24 1HG PRO 24 -20.546 -1.907 -3.073 149 HG3 PRO 24 2HG PRO 24 -21.024 -1.100 -4.578 150 HD2 PRO 24 1HD PRO 24 -18.937 -2.820 -4.446 151 HD3 PRO 24 2HD PRO 24 -18.966 -1.437 -5.560 152 H ASN 25 H ASN 25 -19.131 -2.230 -1.777 153 HA ASN 25 HA ASN 25 -19.300 -1.511 0.907 154 HB2 ASN 25 1HB ASN 25 -18.637 -4.245 -0.208 155 HB3 ASN 25 2HB ASN 25 -19.289 -3.905 1.392 156 HD21 ASN 25 1HD2 ASN 25 -20.563 -5.648 -0.252 157 HD22 ASN 25 2HD2 ASN 25 -22.051 -4.964 -0.804 158 H CYS 26 H CYS 26 -16.544 -2.256 -1.037 159 HA CYS 26 HA CYS 26 -14.801 -2.712 1.237 160 HB2 CYS 26 1HB CYS 26 -14.675 -3.135 -1.632 161 HB3 CYS 26 2HB CYS 26 -13.212 -2.360 -1.032 162 H GLY 27 H GLY 27 -14.310 -0.567 -1.557 163 HA2 GLY 27 1HA GLY 27 -13.395 1.538 -1.683 164 HA3 GLY 27 2HA GLY 27 -14.422 1.888 -0.300 165 H LYS 28 H LYS 28 -11.897 -0.509 -0.132 166 HA LYS 28 HA LYS 28 -10.549 1.112 1.889 167 HB2 LYS 28 1HB LYS 28 -10.191 -1.787 1.108 168 HB3 LYS 28 2HB LYS 28 -9.329 -0.983 2.413 169 HG2 LYS 28 1HG LYS 28 -11.464 -0.569 3.550 170 HG3 LYS 28 2HG LYS 28 -12.304 -1.423 2.253 171 HD2 LYS 28 1HD LYS 28 -11.137 -3.469 2.790 172 HD3 LYS 28 2HD LYS 28 -10.162 -2.633 4.001 173 HE2 LYS 28 1HE LYS 28 -11.986 -3.909 5.025 174 HE3 LYS 28 2HE LYS 28 -12.154 -2.179 5.319 175 HZ1 LYS 28 1HZ LYS 28 -14.190 -3.569 4.564 176 HZ2 LYS 28 2HZ LYS 28 -13.525 -3.392 3.019 177 HZ3 LYS 28 3HZ LYS 28 -13.948 -2.023 3.919 178 H TRP 29 H TRP 29 -8.365 1.632 1.812 179 HA TRP 29 HA TRP 29 -7.237 1.691 -0.885 180 HB2 TRP 29 1HB TRP 29 -6.642 3.223 1.641 181 HB3 TRP 29 2HB TRP 29 -5.558 3.267 0.253 182 HD1 TRP 29 HD TRP 29 -8.839 4.651 1.521 183 HE1 TRP 29 1HE TRP 29 -9.749 6.365 -0.170 184 HE3 TRP 29 3HE TRP 29 -5.606 3.777 -2.343 185 HZ2 TRP 29 2HZ TRP 29 -9.174 7.231 -2.794 186 HZ3 TRP 29 3HZ TRP 29 -5.855 5.090 -4.408 187 HH2 TRP 29 HH TRP 29 -7.603 6.781 -4.628 188 H ARG 30 H ARG 30 -6.234 -0.213 -1.273 189 HA ARG 30 HA ARG 30 -4.640 -1.523 0.742 190 HB2 ARG 30 1HB ARG 30 -4.924 -2.158 -2.201 191 HB3 ARG 30 2HB ARG 30 -4.215 -3.204 -0.977 192 HG2 ARG 30 1HG ARG 30 -7.051 -2.258 -0.770 193 HG3 ARG 30 2HG ARG 30 -6.612 -3.675 -1.726 194 HD2 ARG 30 1HD ARG 30 -6.950 -4.765 0.217 195 HD3 ARG 30 2HD ARG 30 -5.310 -4.222 0.570 196 HE ARG 30 HE ARG 30 -6.802 -2.183 1.486 197 HH11 ARG 30 1HH1 ARG 30 -6.988 -5.626 1.964 198 HH12 ARG 30 2HH1 ARG 30 -7.663 -5.501 3.554 199 HH21 ARG 30 1HH2 ARG 30 -7.692 -2.005 3.579 200 HH22 ARG 30 2HH2 ARG 30 -8.064 -3.440 4.471 201 H ARG 31 H ARG 31 -2.394 -1.904 0.631 202 HA ARG 31 HA ARG 31 -0.930 0.248 -0.704 203 HB2 ARG 31 1HB ARG 31 -0.697 -0.264 1.789 204 HB3 ARG 31 2HB ARG 31 0.184 -1.705 1.301 205 HG2 ARG 31 1HG ARG 31 1.600 0.022 -0.081 206 HG3 ARG 31 2HG ARG 31 0.970 1.155 1.116 207 HD2 ARG 31 1HD ARG 31 3.082 0.323 1.890 208 HD3 ARG 31 2HD ARG 31 1.806 -0.354 2.902 209 HE ARG 31 HE ARG 31 2.498 -2.075 0.729 210 HH11 ARG 31 1HH1 ARG 31 3.440 -1.054 3.922 211 HH12 ARG 31 2HH1 ARG 31 4.269 -2.529 4.291 212 HH21 ARG 31 1HH2 ARG 31 3.586 -4.022 1.204 213 HH22 ARG 31 2HH2 ARG 31 4.352 -4.217 2.744 214 H LEU 32 H LEU 32 0.520 -0.088 -2.294 215 HA LEU 32 HA LEU 32 0.864 -2.855 -3.223 216 HB2 LEU 32 1HB LEU 32 0.981 -0.206 -4.632 217 HB3 LEU 32 2HB LEU 32 1.612 -1.681 -5.362 218 HG LEU 32 HG LEU 32 -1.238 -1.466 -4.433 219 HD11 LEU 32 1HD1 LEU 32 -0.010 -0.541 -7.007 220 HD12 LEU 32 2HD1 LEU 32 -1.151 0.298 -5.958 221 HD13 LEU 32 3HD1 LEU 32 -1.688 -1.076 -6.923 222 HD21 LEU 32 1HD2 LEU 32 -1.070 -3.101 -6.639 223 HD22 LEU 32 2HD2 LEU 32 -1.134 -3.632 -4.959 224 HD23 LEU 32 3HD2 LEU 32 0.423 -3.450 -5.767 225 H CYS 33 H CYS 33 3.027 -2.878 -4.693 226 HA CYS 33 HA CYS 33 5.159 -2.987 -2.910 227 HB2 CYS 33 1HB CYS 33 4.931 -4.116 -5.190 228 HB3 CYS 33 2HB CYS 33 5.486 -2.596 -5.882 229 HG CYS 33 HG CYS 33 7.505 -4.693 -5.634 230 H GLY 34 H GLY 34 4.907 -0.696 -5.639 231 HA2 GLY 34 1HA GLY 34 5.164 1.699 -4.433 232 HA3 GLY 34 2HA GLY 34 6.805 1.075 -4.353 233 H ASN 35 H ASN 35 6.331 -0.373 -6.956 234 HA ASN 35 HA ASN 35 6.871 1.941 -8.678 235 HB2 ASN 35 1HB ASN 35 7.746 0.090 -10.248 236 HB3 ASN 35 2HB ASN 35 8.689 0.462 -8.808 237 HD21 ASN 35 1HD2 ASN 35 6.185 -1.713 -10.023 238 HD22 ASN 35 2HD2 ASN 35 6.666 -3.079 -9.081 239 H ILE 36 H ILE 36 4.178 1.193 -7.945 240 HA ILE 36 HA ILE 36 3.142 0.408 -10.591 241 HB ILE 36 HB ILE 36 1.842 -0.049 -7.903 242 HG12 ILE 36 1HG1 ILE 36 2.822 -2.116 -9.871 243 HG13 ILE 36 2HG1 ILE 36 3.816 -1.521 -8.547 244 HG21 ILE 36 1HG2 ILE 36 0.922 -0.735 -10.690 245 HG22 ILE 36 2HG2 ILE 36 0.161 -1.312 -9.208 246 HG23 ILE 36 3HG2 ILE 36 0.174 0.412 -9.579 247 HD11 ILE 36 1HD1 ILE 36 2.174 -3.682 -8.433 248 HD12 ILE 36 2HD1 ILE 36 2.748 -2.768 -7.038 249 HD13 ILE 36 3HD1 ILE 36 1.162 -2.421 -7.728 250 H ASP 37 H ASP 37 1.458 1.582 -11.459 251 HA ASP 37 HA ASP 37 0.675 4.013 -9.990 252 HB2 ASP 37 1HB ASP 37 2.051 3.799 -12.489 253 HB3 ASP 37 2HB ASP 37 0.458 4.490 -12.782 254 HA PRO 38 HA PRO 38 -3.505 2.844 -10.663 255 HB2 PRO 38 1HB PRO 38 -4.694 5.284 -10.712 256 HB3 PRO 38 2HB PRO 38 -4.072 4.548 -9.230 257 HG2 PRO 38 1HG PRO 38 -2.816 6.621 -10.988 258 HG3 PRO 38 2HG PRO 38 -2.888 6.550 -9.218 259 HD2 PRO 38 1HD PRO 38 -0.687 5.821 -10.618 260 HD3 PRO 38 2HD PRO 38 -1.140 5.053 -9.082 261 H SER 39 H SER 39 -2.131 5.317 -12.778 262 HA SER 39 HA SER 39 -4.128 5.406 -14.721 263 HB2 SER 39 1HB SER 39 -2.676 6.702 -15.910 264 HB3 SER 39 2HB SER 39 -1.788 6.704 -14.386 265 HG SER 39 HG SER 39 -0.876 5.918 -16.668 266 H VAL 40 H VAL 40 -1.367 3.226 -14.377 267 HA VAL 40 HA VAL 40 -2.009 1.803 -16.812 268 HB VAL 40 HB VAL 40 -0.148 0.323 -16.213 269 HG11 VAL 40 1HG1 VAL 40 1.607 1.887 -16.525 270 HG12 VAL 40 2HG1 VAL 40 0.191 2.552 -17.343 271 HG13 VAL 40 3HG1 VAL 40 0.679 3.182 -15.769 272 HG21 VAL 40 1HG2 VAL 40 -0.529 0.398 -13.759 273 HG22 VAL 40 2HG2 VAL 40 1.156 0.648 -14.217 274 HG23 VAL 40 3HG2 VAL 40 0.159 2.022 -13.740 275 H LEU 41 H LEU 41 -2.764 1.584 -13.456 276 HA LEU 41 HA LEU 41 -3.407 -1.193 -13.393 277 HB2 LEU 41 1HB LEU 41 -4.008 1.140 -11.610 278 HB3 LEU 41 2HB LEU 41 -4.736 -0.439 -11.317 279 HG LEU 41 HG LEU 41 -1.761 -0.140 -11.526 280 HD11 LEU 41 1HD1 LEU 41 -1.890 1.294 -9.795 281 HD12 LEU 41 2HD1 LEU 41 -2.150 -0.182 -8.866 282 HD13 LEU 41 3HD1 LEU 41 -3.527 0.801 -9.364 283 HD21 LEU 41 1HD2 LEU 41 -3.416 -2.037 -9.881 284 HD22 LEU 41 2HD2 LEU 41 -1.709 -2.163 -10.307 285 HD23 LEU 41 3HD2 LEU 41 -2.946 -2.375 -11.546 286 HA PRO 42 HA PRO 42 -7.409 -1.263 -15.197 287 HB2 PRO 42 1HB PRO 42 -8.610 -3.204 -13.728 288 HB3 PRO 42 2HB PRO 42 -7.358 -3.544 -14.928 289 HG2 PRO 42 1HG PRO 42 -7.118 -3.319 -11.953 290 HG3 PRO 42 2HG PRO 42 -6.389 -4.509 -13.047 291 HD2 PRO 42 1HD PRO 42 -5.012 -2.392 -12.070 292 HD3 PRO 42 2HD PRO 42 -4.695 -3.078 -13.676 293 H ASP 43 H ASP 43 -9.509 -0.525 -14.931 294 HA ASP 43 HA ASP 43 -9.959 1.241 -12.739 295 HB2 ASP 43 1HB ASP 43 -10.888 1.963 -14.769 296 HB3 ASP 43 2HB ASP 43 -11.593 0.386 -15.113 297 H ASN 44 H ASN 44 -10.857 -2.033 -13.465 298 HA ASN 44 HA ASN 44 -12.785 -2.100 -11.269 299 HB2 ASN 44 1HB ASN 44 -12.054 -4.445 -13.006 300 HB3 ASN 44 2HB ASN 44 -13.556 -4.145 -12.136 301 HD21 ASN 44 1HD2 ASN 44 -15.196 -3.353 -13.244 302 HD22 ASN 44 2HD2 ASN 44 -15.100 -2.610 -14.800 303 H TRP 45 H TRP 45 -9.895 -1.776 -10.825 304 HA TRP 45 HA TRP 45 -8.731 -4.185 -9.942 305 HB2 TRP 45 1HB TRP 45 -7.476 -2.078 -10.376 306 HB3 TRP 45 2HB TRP 45 -8.189 -1.389 -8.920 307 HD1 TRP 45 HD TRP 45 -5.370 -3.580 -10.089 308 HE1 TRP 45 1HE TRP 45 -3.962 -4.329 -8.068 309 HE3 TRP 45 3HE TRP 45 -8.466 -2.035 -6.326 310 HZ2 TRP 45 2HZ TRP 45 -4.141 -4.273 -5.252 311 HZ3 TRP 45 3HZ TRP 45 -7.774 -2.421 -3.996 312 HH2 TRP 45 HH TRP 45 -5.656 -3.517 -3.472 313 H SER 46 H SER 46 -8.618 -5.149 -7.935 314 HA SER 46 HA SER 46 -10.274 -4.033 -5.788 315 HB2 SER 46 1HB SER 46 -11.026 -6.493 -5.388 316 HB3 SER 46 2HB SER 46 -11.825 -5.554 -6.650 317 HG SER 46 HG SER 46 -11.290 -7.474 -7.576 318 H CYS 47 H CYS 47 -10.009 -5.576 -3.772 319 HA CYS 47 HA CYS 47 -7.353 -5.377 -2.930 320 HB2 CYS 47 1HB CYS 47 -9.469 -7.214 -1.792 321 HB3 CYS 47 2HB CYS 47 -8.041 -6.609 -0.958 322 H ASP 48 H ASP 48 -9.066 -7.969 -4.515 323 HA ASP 48 HA ASP 48 -7.260 -10.063 -3.959 324 HB2 ASP 48 1HB ASP 48 -9.468 -10.565 -4.793 325 HB3 ASP 48 2HB ASP 48 -9.167 -9.651 -6.268 326 H GLN 49 H GLN 49 -7.006 -7.326 -5.971 327 HA GLN 49 HA GLN 49 -4.883 -8.540 -7.585 328 HB2 GLN 49 1HB GLN 49 -6.432 -5.968 -7.855 329 HB3 GLN 49 2HB GLN 49 -5.006 -6.317 -8.823 330 HG2 GLN 49 1HG GLN 49 -6.075 -8.232 -9.803 331 HG3 GLN 49 2HG GLN 49 -7.470 -8.041 -8.742 332 HE21 GLN 49 1HE2 GLN 49 -9.151 -7.216 -9.733 333 HE22 GLN 49 2HE2 GLN 49 -9.120 -6.047 -11.005 334 H ASN 50 H ASN 50 -4.576 -7.881 -4.740 335 HA ASN 50 HA ASN 50 -2.728 -5.620 -4.784 336 HB2 ASN 50 1HB ASN 50 -4.529 -6.191 -2.936 337 HB3 ASN 50 2HB ASN 50 -3.250 -7.236 -2.323 338 HD21 ASN 50 1HD2 ASN 50 -2.429 -6.244 -0.622 339 HD22 ASN 50 2HD2 ASN 50 -1.903 -4.599 -0.568 340 H THR 51 H THR 51 -0.603 -5.841 -3.770 341 HA THR 51 HA THR 51 0.641 -8.372 -4.548 342 HB THR 51 HB THR 51 2.781 -7.163 -4.382 343 HG1 THR 51 1HG THR 51 2.745 -5.459 -3.128 344 HG21 THR 51 1HG2 THR 51 0.575 -6.353 -6.153 345 HG22 THR 51 2HG2 THR 51 2.200 -6.913 -6.548 346 HG23 THR 51 3HG2 THR 51 1.934 -5.231 -6.091 347 H ASP 52 H ASP 52 -0.200 -6.536 -1.764 348 HA ASP 52 HA ASP 52 1.637 -7.992 -0.031 349 HB2 ASP 52 1HB ASP 52 1.155 -5.523 0.253 350 HB3 ASP 52 2HB ASP 52 -0.460 -5.979 0.789 351 H VAL 53 H VAL 53 1.059 -9.981 0.537 352 HA VAL 53 HA VAL 53 -1.478 -11.098 0.363 353 HB VAL 53 HB VAL 53 -0.656 -12.912 1.770 354 HG11 VAL 53 1HG1 VAL 53 0.866 -11.825 -0.489 355 HG12 VAL 53 2HG1 VAL 53 1.743 -13.001 0.492 356 HG13 VAL 53 3HG1 VAL 53 0.199 -13.438 -0.239 357 HG21 VAL 53 1HG2 VAL 53 1.906 -12.484 2.439 358 HG22 VAL 53 2HG2 VAL 53 1.280 -10.845 2.616 359 HG23 VAL 53 3HG2 VAL 53 0.557 -12.168 3.531 360 H GLN 54 H GLN 54 -0.090 -9.113 2.838 361 HA GLN 54 HA GLN 54 -1.811 -9.831 4.967 362 HB2 GLN 54 1HB GLN 54 -0.424 -7.186 4.506 363 HB3 GLN 54 2HB GLN 54 -1.051 -7.784 6.037 364 HG2 GLN 54 1HG GLN 54 0.602 -9.793 5.450 365 HG3 GLN 54 2HG GLN 54 1.424 -8.491 4.591 366 HE21 GLN 54 1HE2 GLN 54 2.717 -9.683 6.618 367 HE22 GLN 54 2HE2 GLN 54 2.807 -8.636 7.989 368 H TYR 55 H TYR 55 -2.231 -7.881 2.161 369 HA TYR 55 HA TYR 55 -4.971 -7.302 2.986 370 HB2 TYR 55 1HB TYR 55 -3.164 -5.156 1.861 371 HB3 TYR 55 2HB TYR 55 -4.840 -4.968 2.362 372 HD1 TYR 55 1HD TYR 55 -1.407 -5.588 3.590 373 HD2 TYR 55 2HD TYR 55 -5.403 -4.563 4.631 374 HE1 TYR 55 1HE TYR 55 -0.656 -4.983 5.853 375 HE2 TYR 55 2HE TYR 55 -4.663 -3.954 6.896 376 HH TYR 55 HH TYR 55 -2.870 -4.347 8.414 377 H ASN 56 H ASN 56 -4.446 -9.254 1.274 378 HA ASN 56 HA ASN 56 -4.857 -8.117 -1.410 379 HB2 ASN 56 1HB ASN 56 -3.822 -9.974 -2.351 380 HB3 ASN 56 2HB ASN 56 -2.894 -9.752 -0.871 381 HD21 ASN 56 1HD2 ASN 56 -3.386 -11.111 0.939 382 HD22 ASN 56 2HD2 ASN 56 -4.046 -12.686 0.679 383 H ARG 57 H ARG 57 -6.824 -8.646 0.827 384 HA ARG 57 HA ARG 57 -8.729 -10.177 -0.802 385 HB2 ARG 57 1HB ARG 57 -8.366 -10.442 2.188 386 HB3 ARG 57 2HB ARG 57 -9.646 -11.199 1.251 387 HG2 ARG 57 1HG ARG 57 -7.021 -11.806 0.187 388 HG3 ARG 57 2HG ARG 57 -7.191 -12.294 1.875 389 HD2 ARG 57 1HD ARG 57 -9.349 -13.409 1.222 390 HD3 ARG 57 2HD ARG 57 -8.919 -13.092 -0.459 391 HE ARG 57 HE ARG 57 -6.854 -14.462 0.972 392 HH11 ARG 57 1HH1 ARG 57 -9.854 -14.869 -0.747 393 HH12 ARG 57 2HH1 ARG 57 -9.532 -16.515 -1.182 394 HH21 ARG 57 1HH2 ARG 57 -6.419 -16.628 0.406 395 HH22 ARG 57 2HH2 ARG 57 -7.579 -17.515 -0.525 396 H CYS 58 H CYS 58 -10.970 -9.675 -0.382 397 HA CYS 58 HA CYS 58 -11.332 -6.863 0.192 398 HB2 CYS 58 1HB CYS 58 -13.119 -9.039 -0.869 399 HB3 CYS 58 2HB CYS 58 -13.773 -7.474 -0.397 400 H ASP 59 H ASP 59 -11.113 -9.472 2.111 401 HA ASP 59 HA ASP 59 -13.260 -8.655 3.938 402 HB2 ASP 59 1HB ASP 59 -12.837 -11.114 3.201 403 HB3 ASP 59 2HB ASP 59 -11.506 -11.057 4.354 404 H ILE 60 H ILE 60 -9.837 -8.639 3.521 405 HA ILE 60 HA ILE 60 -9.103 -8.321 6.251 406 HB ILE 60 HB ILE 60 -7.606 -7.499 3.760 407 HG12 ILE 60 1HG1 ILE 60 -7.092 -9.929 5.461 408 HG13 ILE 60 2HG1 ILE 60 -8.241 -9.971 4.128 409 HG21 ILE 60 1HG2 ILE 60 -7.088 -6.944 6.490 410 HG22 ILE 60 2HG2 ILE 60 -5.898 -8.123 5.942 411 HG23 ILE 60 3HG2 ILE 60 -6.079 -6.591 5.088 412 HD11 ILE 60 1HD1 ILE 60 -6.419 -10.667 3.002 413 HD12 ILE 60 2HD1 ILE 60 -6.136 -8.932 2.854 414 HD13 ILE 60 3HD1 ILE 60 -5.297 -9.860 4.097 415 HA PRO 61 HA PRO 61 -10.465 -4.122 6.737 416 HB2 PRO 61 1HB PRO 61 -9.379 -3.736 9.195 417 HB3 PRO 61 2HB PRO 61 -10.854 -4.673 8.934 418 HG2 PRO 61 1HG PRO 61 -8.046 -5.632 9.327 419 HG3 PRO 61 2HG PRO 61 -9.551 -6.263 10.020 420 HD2 PRO 61 1HD PRO 61 -8.326 -7.419 7.900 421 HD3 PRO 61 2HD PRO 61 -10.089 -7.431 8.108 422 H GLU 62 H GLU 62 -9.533 -2.005 6.975 423 HA GLU 62 HA GLU 62 -6.996 -1.760 5.689 424 HB2 GLU 62 1HB GLU 62 -8.712 0.366 6.984 425 HB3 GLU 62 2HB GLU 62 -7.355 0.658 5.905 426 HG2 GLU 62 1HG GLU 62 -8.506 -0.144 4.044 427 HG3 GLU 62 2HG GLU 62 -9.708 -0.972 5.031 428 H GLU 63 H GLU 63 -5.336 -0.173 6.601 429 HA GLU 63 HA GLU 63 -4.243 -1.268 8.952 430 HB2 GLU 63 1HB GLU 63 -3.583 1.005 7.155 431 HB3 GLU 63 2HB GLU 63 -2.863 1.018 8.759 432 HG2 GLU 63 1HG GLU 63 -1.252 -0.088 7.591 433 HG3 GLU 63 2HG GLU 63 -2.223 -1.447 8.157 434 H THR 64 H THR 64 -4.401 -0.731 11.047 435 HA THR 64 HA THR 64 -6.292 1.380 11.762 436 HB THR 64 HB THR 64 -5.984 0.357 14.106 437 HG1 THR 64 1HG THR 64 -4.419 -1.078 14.121 438 HG21 THR 64 1HG2 THR 64 -7.224 -1.198 11.836 439 HG22 THR 64 2HG2 THR 64 -8.008 -0.002 12.869 440 HG23 THR 64 3HG2 THR 64 -7.500 -1.551 13.541 441 H TRP 65 H TRP 65 -5.809 2.785 13.606 442 HA TRP 65 HA TRP 65 -4.551 4.416 14.571 443 HB2 TRP 65 1HB TRP 65 -3.646 2.311 15.687 444 HB3 TRP 65 2HB TRP 65 -2.290 2.417 14.568 445 HD1 TRP 65 HD TRP 65 -4.013 5.034 16.882 446 HE1 TRP 65 1HE TRP 65 -2.162 6.276 18.170 447 HE3 TRP 65 3HE TRP 65 0.066 2.596 14.996 448 HZ2 TRP 65 2HZ TRP 65 0.654 6.228 18.361 449 HZ3 TRP 65 3HZ TRP 65 2.302 3.255 15.783 450 HH2 TRP 65 HH TRP 65 2.588 5.034 17.430 451 H THR 66 H THR 66 -4.728 4.960 12.026 452 HA THR 66 HA THR 66 -2.100 5.201 10.808 453 HB THR 66 HB THR 66 -3.364 6.306 8.935 454 HG1 THR 66 1HG THR 66 -5.381 6.825 9.270 455 HG21 THR 66 1HG2 THR 66 -3.220 4.194 8.210 456 HG22 THR 66 2HG2 THR 66 -4.873 3.985 8.787 457 HG23 THR 66 3HG2 THR 66 -3.515 3.544 9.822 458 H GLY 67 H GLY 67 -4.540 7.236 12.319 459 HA2 GLY 67 1HA GLY 67 -4.418 9.380 13.135 460 HA3 GLY 67 2HA GLY 67 -2.670 9.231 13.028 461 H LEU 68 H LEU 68 -4.709 8.833 10.228 462 HA LEU 68 HA LEU 68 -3.426 11.147 9.007 463 HB2 LEU 68 1HB LEU 68 -3.419 9.103 7.734 464 HB3 LEU 68 2HB LEU 68 -5.171 8.966 7.875 465 HG LEU 68 HG LEU 68 -5.459 10.910 6.442 466 HD11 LEU 68 1HD1 LEU 68 -3.259 11.625 5.222 467 HD12 LEU 68 2HD1 LEU 68 -2.494 11.064 6.708 468 HD13 LEU 68 3HD1 LEU 68 -3.701 12.348 6.769 469 HD21 LEU 68 1HD2 LEU 68 -3.943 9.831 4.461 470 HD22 LEU 68 2HD2 LEU 68 -5.516 9.216 4.971 471 HD23 LEU 68 3HD2 LEU 68 -4.037 8.487 5.599 472 H GLU 69 H GLU 69 -4.374 13.063 9.112 473 HA GLU 69 HA GLU 69 -7.100 13.395 9.879 474 HB2 GLU 69 1HB GLU 69 -5.151 15.426 8.772 475 HB3 GLU 69 2HB GLU 69 -6.680 15.793 9.560 476 HG2 GLU 69 1HG GLU 69 -5.837 14.755 11.626 477 HG3 GLU 69 2HG GLU 69 -4.290 14.476 10.828 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.893 11.849 0.088 2 HA2 GLY 1 1HA GLY 1 -12.244 13.106 -1.856 3 HA3 GLY 1 2HA GLY 1 -10.973 14.270 -1.514 4 H SER 2 H SER 2 -10.851 13.552 -3.965 5 HA SER 2 HA SER 2 -8.624 11.651 -4.092 6 HB2 SER 2 1HB SER 2 -11.144 11.560 -5.742 7 HB3 SER 2 2HB SER 2 -9.638 10.844 -6.316 8 HG SER 2 HG SER 2 -9.746 9.337 -4.788 9 H SER 3 H SER 3 -6.975 12.331 -5.322 10 HA SER 3 HA SER 3 -7.416 14.725 -6.983 11 HB2 SER 3 1HB SER 3 -5.943 15.475 -5.361 12 HB3 SER 3 2HB SER 3 -5.160 13.903 -5.195 13 HG SER 3 HG SER 3 -3.882 15.513 -6.297 14 H GLY 4 H GLY 4 -6.042 14.942 -8.888 15 HA2 GLY 4 1HA GLY 4 -5.546 12.306 -10.110 16 HA3 GLY 4 2HA GLY 4 -5.938 13.772 -10.996 17 H SER 5 H SER 5 -3.477 11.722 -10.044 18 HA SER 5 HA SER 5 -1.467 13.682 -10.902 19 HB2 SER 5 1HB SER 5 -1.524 13.351 -8.360 20 HB3 SER 5 2HB SER 5 -0.915 11.726 -8.673 21 HG SER 5 HG SER 5 0.334 14.207 -9.050 22 H SER 6 H SER 6 -0.337 12.941 -12.563 23 HA SER 6 HA SER 6 -0.648 10.333 -13.587 24 HB2 SER 6 1HB SER 6 1.262 10.998 -15.110 25 HB3 SER 6 2HB SER 6 -0.118 12.095 -15.115 26 HG SER 6 HG SER 6 1.448 13.498 -14.793 27 H GLY 7 H GLY 7 1.860 11.836 -11.617 28 HA2 GLY 7 1HA GLY 7 3.056 10.492 -10.008 29 HA3 GLY 7 2HA GLY 7 2.961 9.145 -11.133 30 H GLU 8 H GLU 8 5.324 10.154 -9.847 31 HA GLU 8 HA GLU 8 6.809 11.170 -12.181 32 HB2 GLU 8 1HB GLU 8 6.678 12.574 -10.019 33 HB3 GLU 8 2HB GLU 8 7.772 11.377 -9.340 34 HG2 GLU 8 1HG GLU 8 9.395 11.867 -11.105 35 HG3 GLU 8 2HG GLU 8 8.301 13.083 -11.763 36 H ILE 9 H ILE 9 8.378 9.941 -13.009 37 HA ILE 9 HA ILE 9 8.734 7.270 -12.200 38 HB ILE 9 HB ILE 9 10.582 8.917 -13.930 39 HG12 ILE 9 1HG1 ILE 9 8.274 8.975 -14.763 40 HG13 ILE 9 2HG1 ILE 9 9.303 8.019 -15.825 41 HG21 ILE 9 1HG2 ILE 9 10.226 5.949 -13.575 42 HG22 ILE 9 2HG2 ILE 9 11.098 6.670 -14.927 43 HG23 ILE 9 3HG2 ILE 9 11.675 6.909 -13.278 44 HD11 ILE 9 1HD1 ILE 9 8.442 5.980 -14.650 45 HD12 ILE 9 2HD1 ILE 9 7.271 7.028 -13.849 46 HD13 ILE 9 3HD1 ILE 9 7.253 6.866 -15.605 47 H SER 10 H SER 10 9.711 6.604 -10.413 48 HA SER 10 HA SER 10 12.212 7.932 -9.604 49 HB2 SER 10 1HB SER 10 10.244 6.772 -7.632 50 HB3 SER 10 2HB SER 10 11.621 7.824 -7.306 51 HG SER 10 HG SER 10 9.098 8.504 -7.850 52 H GLY 11 H GLY 11 13.901 6.614 -9.300 53 HA2 GLY 11 1HA GLY 11 13.393 3.717 -9.433 54 HA3 GLY 11 2HA GLY 11 14.891 4.508 -9.900 55 H PHE 12 H PHE 12 15.383 6.101 -7.707 56 HA PHE 12 HA PHE 12 15.862 4.076 -5.627 57 HB2 PHE 12 1HB PHE 12 17.414 6.576 -6.323 58 HB3 PHE 12 2HB PHE 12 17.758 5.554 -4.931 59 HD1 PHE 12 1HD PHE 12 18.307 3.096 -5.388 60 HD2 PHE 12 2HD PHE 12 18.370 6.118 -8.385 61 HE1 PHE 12 1HE PHE 12 19.746 1.673 -6.788 62 HE2 PHE 12 2HE PHE 12 19.808 4.699 -9.790 63 HZ PHE 12 HZ PHE 12 20.498 2.474 -8.992 64 H GLY 13 H GLY 13 14.800 4.292 -3.776 65 HA2 GLY 13 1HA GLY 13 14.518 6.046 -1.927 66 HA3 GLY 13 2HA GLY 13 13.608 6.915 -3.154 67 H GLN 14 H GLN 14 12.050 6.687 -1.230 68 HA GLN 14 HA GLN 14 10.527 4.183 -1.539 69 HB2 GLN 14 1HB GLN 14 9.795 4.358 0.714 70 HB3 GLN 14 2HB GLN 14 11.532 4.633 0.736 71 HG2 GLN 14 1HG GLN 14 11.083 7.076 0.782 72 HG3 GLN 14 2HG GLN 14 9.365 6.710 0.933 73 HE21 GLN 14 1HE2 GLN 14 9.583 7.963 2.917 74 HE22 GLN 14 2HE2 GLN 14 10.112 7.164 4.355 75 H CYS 15 H CYS 15 8.412 4.296 -2.077 76 HA CYS 15 HA CYS 15 7.234 6.984 -2.344 77 HB2 CYS 15 1HB CYS 15 7.231 4.649 -4.221 78 HB3 CYS 15 2HB CYS 15 5.876 5.772 -4.234 79 HG CYS 15 HG CYS 15 7.109 7.838 -5.307 80 H LEU 16 H LEU 16 4.885 7.070 -2.220 81 HA LEU 16 HA LEU 16 3.779 4.910 -0.549 82 HB2 LEU 16 1HB LEU 16 3.663 7.869 -0.285 83 HB3 LEU 16 2HB LEU 16 2.257 6.934 0.219 84 HG LEU 16 HG LEU 16 3.732 7.475 2.099 85 HD11 LEU 16 1HD1 LEU 16 3.289 5.523 3.107 86 HD12 LEU 16 2HD1 LEU 16 4.181 4.585 1.910 87 HD13 LEU 16 3HD1 LEU 16 2.527 5.098 1.575 88 HD21 LEU 16 1HD2 LEU 16 5.951 7.002 2.193 89 HD22 LEU 16 2HD2 LEU 16 5.800 7.205 0.447 90 HD23 LEU 16 3HD2 LEU 16 5.810 5.587 1.151 91 H VAL 17 H VAL 17 2.956 3.901 -2.456 92 HA VAL 17 HA VAL 17 0.874 5.357 -3.908 93 HB VAL 17 HB VAL 17 0.863 3.474 -5.463 94 HG11 VAL 17 1HG1 VAL 17 2.740 5.381 -5.299 95 HG12 VAL 17 2HG1 VAL 17 3.766 3.949 -5.185 96 HG13 VAL 17 3HG1 VAL 17 2.707 4.167 -6.578 97 HG21 VAL 17 1HG2 VAL 17 2.540 1.670 -5.219 98 HG22 VAL 17 2HG2 VAL 17 2.932 2.289 -3.615 99 HG23 VAL 17 3HG2 VAL 17 1.320 1.654 -3.945 100 H TRP 18 H TRP 18 -1.251 4.907 -3.745 101 HA TRP 18 HA TRP 18 -2.058 2.564 -2.160 102 HB2 TRP 18 1HB TRP 18 -3.060 5.400 -1.863 103 HB3 TRP 18 2HB TRP 18 -3.876 4.002 -1.168 104 HD1 TRP 18 HD TRP 18 -0.702 6.113 -0.778 105 HE1 TRP 18 1HE TRP 18 0.321 5.633 1.534 106 HE3 TRP 18 3HE TRP 18 -3.726 2.250 0.662 107 HZ2 TRP 18 2HZ TRP 18 -0.098 3.852 3.684 108 HZ3 TRP 18 3HZ TRP 18 -3.348 1.213 2.861 109 HH2 TRP 18 HH TRP 18 -1.570 1.999 4.339 110 H VAL 19 H VAL 19 -3.900 1.527 -2.820 111 HA VAL 19 HA VAL 19 -5.277 2.638 -5.177 112 HB VAL 19 HB VAL 19 -5.591 0.217 -5.898 113 HG11 VAL 19 1HG1 VAL 19 -3.468 0.153 -7.064 114 HG12 VAL 19 2HG1 VAL 19 -4.074 1.810 -7.010 115 HG13 VAL 19 3HG1 VAL 19 -2.778 1.308 -5.923 116 HG21 VAL 19 1HG2 VAL 19 -4.954 -0.860 -3.819 117 HG22 VAL 19 2HG2 VAL 19 -3.877 -1.369 -5.120 118 HG23 VAL 19 3HG2 VAL 19 -3.331 -0.179 -3.938 119 H GLN 20 H GLN 20 -7.418 2.768 -4.995 120 HA GLN 20 HA GLN 20 -8.696 1.613 -2.647 121 HB2 GLN 20 1HB GLN 20 -8.986 4.041 -3.475 122 HB3 GLN 20 2HB GLN 20 -10.050 3.351 -4.693 123 HG2 GLN 20 1HG GLN 20 -11.293 2.279 -2.734 124 HG3 GLN 20 2HG GLN 20 -10.397 3.409 -1.720 125 HE21 GLN 20 1HE2 GLN 20 -12.285 4.457 -1.092 126 HE22 GLN 20 2HE2 GLN 20 -13.145 5.513 -2.155 127 H CYS 21 H CYS 21 -10.056 -0.068 -2.681 128 HA CYS 21 HA CYS 21 -10.203 -1.847 -4.786 129 HB2 CYS 21 1HB CYS 21 -10.842 -2.205 -2.335 130 HB3 CYS 21 2HB CYS 21 -12.415 -1.539 -2.760 131 H SER 22 H SER 22 -12.012 -2.484 -6.135 132 HA SER 22 HA SER 22 -13.260 -0.174 -7.355 133 HB2 SER 22 1HB SER 22 -12.396 -1.709 -8.928 134 HB3 SER 22 2HB SER 22 -13.094 -3.093 -8.088 135 HG SER 22 HG SER 22 -14.549 -1.060 -9.434 136 H PHE 23 H PHE 23 -14.146 -2.808 -5.280 137 HA PHE 23 HA PHE 23 -16.970 -2.605 -5.713 138 HB2 PHE 23 1HB PHE 23 -15.396 -3.911 -3.484 139 HB3 PHE 23 2HB PHE 23 -17.133 -4.077 -3.717 140 HD1 PHE 23 2HD PHE 23 -17.770 -4.814 -6.220 141 HD2 PHE 23 1HD PHE 23 -14.080 -5.613 -4.255 142 HE1 PHE 23 2HE PHE 23 -17.385 -6.720 -7.727 143 HE2 PHE 23 1HE PHE 23 -13.688 -7.520 -5.759 144 HZ PHE 23 HZ PHE 23 -15.342 -8.077 -7.497 145 HA PRO 24 HA PRO 24 -17.878 0.827 -3.115 146 HB2 PRO 24 1HB PRO 24 -20.463 0.252 -2.515 147 HB3 PRO 24 2HB PRO 24 -19.953 0.836 -4.103 148 HG2 PRO 24 1HG PRO 24 -20.534 -1.962 -3.210 149 HG3 PRO 24 2HG PRO 24 -20.997 -1.149 -4.717 150 HD2 PRO 24 1HD PRO 24 -18.907 -2.864 -4.569 151 HD3 PRO 24 2HD PRO 24 -18.927 -1.476 -5.677 152 H ASN 25 H ASN 25 -19.133 -2.287 -1.900 153 HA ASN 25 HA ASN 25 -19.336 -1.582 0.785 154 HB2 ASN 25 1HB ASN 25 -19.038 -4.093 1.184 155 HB3 ASN 25 2HB ASN 25 -20.362 -3.607 0.129 156 HD21 ASN 25 1HD2 ASN 25 -20.371 -4.240 -1.962 157 HD22 ASN 25 2HD2 ASN 25 -19.171 -5.264 -2.666 158 H CYS 26 H CYS 26 -16.553 -2.303 -1.129 159 HA CYS 26 HA CYS 26 -14.836 -2.763 1.164 160 HB2 CYS 26 1HB CYS 26 -14.672 -3.167 -1.707 161 HB3 CYS 26 2HB CYS 26 -13.220 -2.392 -1.081 162 H GLY 27 H GLY 27 -14.320 -0.601 -1.613 163 HA2 GLY 27 1HA GLY 27 -13.407 1.506 -1.716 164 HA3 GLY 27 2HA GLY 27 -14.461 1.848 -0.352 165 H LYS 28 H LYS 28 -11.915 -0.531 -0.164 166 HA LYS 28 HA LYS 28 -10.617 1.087 1.894 167 HB2 LYS 28 1HB LYS 28 -10.234 -1.808 1.109 168 HB3 LYS 28 2HB LYS 28 -9.392 -1.005 2.428 169 HG2 LYS 28 1HG LYS 28 -11.547 -0.598 3.535 170 HG3 LYS 28 2HG LYS 28 -12.363 -1.458 2.226 171 HD2 LYS 28 1HD LYS 28 -11.171 -3.494 2.779 172 HD3 LYS 28 2HD LYS 28 -10.248 -2.646 4.023 173 HE2 LYS 28 1HE LYS 28 -12.123 -3.986 4.931 174 HE3 LYS 28 2HE LYS 28 -12.241 -2.269 5.316 175 HZ1 LYS 28 1HZ LYS 28 -13.617 -3.363 2.950 176 HZ2 LYS 28 2HZ LYS 28 -13.977 -1.973 3.843 177 HZ3 LYS 28 3HZ LYS 28 -14.319 -3.501 4.483 178 H TRP 29 H TRP 29 -8.424 1.599 1.865 179 HA TRP 29 HA TRP 29 -7.257 1.694 -0.814 180 HB2 TRP 29 1HB TRP 29 -6.712 3.192 1.741 181 HB3 TRP 29 2HB TRP 29 -5.585 3.242 0.388 182 HD1 TRP 29 HD TRP 29 -8.843 4.691 1.600 183 HE1 TRP 29 1HE TRP 29 -9.709 6.407 -0.112 184 HE3 TRP 29 3HE TRP 29 -5.621 3.702 -2.245 185 HZ2 TRP 29 2HZ TRP 29 -9.108 7.232 -2.743 186 HZ3 TRP 29 3HZ TRP 29 -5.834 4.999 -4.325 187 HH2 TRP 29 HH TRP 29 -7.542 6.727 -4.567 188 H ARG 30 H ARG 30 -6.209 -0.167 -1.243 189 HA ARG 30 HA ARG 30 -4.653 -1.518 0.785 190 HB2 ARG 30 1HB ARG 30 -4.908 -2.128 -2.166 191 HB3 ARG 30 2HB ARG 30 -4.224 -3.187 -0.939 192 HG2 ARG 30 1HG ARG 30 -7.053 -2.224 -0.748 193 HG3 ARG 30 2HG ARG 30 -6.621 -3.621 -1.736 194 HD2 ARG 30 1HD ARG 30 -6.962 -4.770 0.167 195 HD3 ARG 30 2HD ARG 30 -5.338 -4.217 0.570 196 HE ARG 30 HE ARG 30 -6.878 -2.219 1.503 197 HH11 ARG 30 1HH1 ARG 30 -7.021 -5.675 1.893 198 HH12 ARG 30 2HH1 ARG 30 -7.731 -5.598 3.472 199 HH21 ARG 30 1HH2 ARG 30 -7.813 -2.104 3.580 200 HH22 ARG 30 2HH2 ARG 30 -8.182 -3.567 4.430 201 H ARG 31 H ARG 31 -2.411 -2.367 -0.075 202 HA ARG 31 HA ARG 31 -0.917 -0.016 -1.037 203 HB2 ARG 31 1HB ARG 31 -0.372 -1.973 1.140 204 HB3 ARG 31 2HB ARG 31 1.003 -1.355 0.234 205 HG2 ARG 31 1HG ARG 31 -0.956 0.621 1.248 206 HG3 ARG 31 2HG ARG 31 0.090 -0.175 2.426 207 HD2 ARG 31 1HD ARG 31 1.006 1.320 -0.029 208 HD3 ARG 31 2HD ARG 31 1.065 1.922 1.627 209 HE ARG 31 HE ARG 31 2.874 0.059 0.393 210 HH11 ARG 31 1HH1 ARG 31 1.555 1.212 3.401 211 HH12 ARG 31 2HH1 ARG 31 2.908 0.687 4.346 212 HH21 ARG 31 1HH2 ARG 31 4.662 -0.637 1.626 213 HH22 ARG 31 2HH2 ARG 31 4.676 -0.363 3.336 214 H LEU 32 H LEU 32 0.526 -0.270 -2.671 215 HA LEU 32 HA LEU 32 0.698 -2.957 -3.864 216 HB2 LEU 32 1HB LEU 32 0.653 -0.213 -5.064 217 HB3 LEU 32 2HB LEU 32 1.337 -1.574 -5.950 218 HG LEU 32 HG LEU 32 -1.510 -1.360 -4.970 219 HD11 LEU 32 1HD1 LEU 32 -1.243 0.151 -6.769 220 HD12 LEU 32 2HD1 LEU 32 -1.975 -1.303 -7.446 221 HD13 LEU 32 3HD1 LEU 32 -0.254 -0.992 -7.678 222 HD21 LEU 32 1HD2 LEU 32 -1.724 -3.354 -6.581 223 HD22 LEU 32 2HD2 LEU 32 -1.040 -3.641 -4.981 224 HD23 LEU 32 3HD2 LEU 32 0.021 -3.514 -6.385 225 H CYS 33 H CYS 33 2.729 -3.165 -5.304 226 HA CYS 33 HA CYS 33 5.009 -2.686 -3.591 227 HB2 CYS 33 1HB CYS 33 4.406 -4.803 -5.065 228 HB3 CYS 33 2HB CYS 33 5.280 -3.909 -6.302 229 HG CYS 33 HG CYS 33 7.469 -5.057 -5.587 230 H GLY 34 H GLY 34 7.081 -1.902 -4.548 231 HA2 GLY 34 1HA GLY 34 6.690 0.679 -5.684 232 HA3 GLY 34 2HA GLY 34 8.238 -0.097 -5.383 233 H ASN 35 H ASN 35 7.179 -2.434 -7.062 234 HA ASN 35 HA ASN 35 8.326 -1.532 -9.527 235 HB2 ASN 35 1HB ASN 35 6.858 -4.135 -9.235 236 HB3 ASN 35 2HB ASN 35 8.282 -3.767 -10.204 237 HD21 ASN 35 1HD2 ASN 35 9.887 -2.536 -8.352 238 HD22 ASN 35 2HD2 ASN 35 10.332 -3.673 -7.130 239 H ILE 36 H ILE 36 5.103 -2.025 -8.295 240 HA ILE 36 HA ILE 36 3.922 -1.648 -10.939 241 HB ILE 36 HB ILE 36 2.545 -2.107 -8.291 242 HG12 ILE 36 1HG1 ILE 36 3.100 -4.071 -10.524 243 HG13 ILE 36 2HG1 ILE 36 4.002 -3.995 -9.015 244 HG21 ILE 36 1HG2 ILE 36 0.963 -2.948 -10.454 245 HG22 ILE 36 2HG2 ILE 36 0.681 -1.584 -9.374 246 HG23 ILE 36 3HG2 ILE 36 1.575 -1.349 -10.876 247 HD11 ILE 36 1HD1 ILE 36 1.259 -4.989 -9.542 248 HD12 ILE 36 2HD1 ILE 36 2.534 -5.656 -8.521 249 HD13 ILE 36 3HD1 ILE 36 1.600 -4.265 -7.970 250 H ASP 37 H ASP 37 3.033 0.204 -11.620 251 HA ASP 37 HA ASP 37 3.110 2.498 -9.798 252 HB2 ASP 37 1HB ASP 37 3.703 2.125 -12.584 253 HB3 ASP 37 2HB ASP 37 2.439 3.340 -12.412 254 HA PRO 38 HA PRO 38 -1.260 2.757 -9.446 255 HB2 PRO 38 1HB PRO 38 -1.571 5.437 -9.145 256 HB3 PRO 38 2HB PRO 38 -0.903 4.400 -7.880 257 HG2 PRO 38 1HG PRO 38 0.525 6.148 -9.847 258 HG3 PRO 38 2HG PRO 38 0.837 5.925 -8.116 259 HD2 PRO 38 1HD PRO 38 2.304 4.695 -10.031 260 HD3 PRO 38 2HD PRO 38 1.987 3.955 -8.449 261 H SER 39 H SER 39 0.430 4.376 -11.981 262 HA SER 39 HA SER 39 -1.938 5.324 -13.330 263 HB2 SER 39 1HB SER 39 0.568 6.214 -13.411 264 HB3 SER 39 2HB SER 39 0.672 5.076 -14.754 265 HG SER 39 HG SER 39 -0.061 6.831 -15.743 266 H VAL 40 H VAL 40 0.419 2.714 -13.783 267 HA VAL 40 HA VAL 40 -1.020 1.645 -16.052 268 HB VAL 40 HB VAL 40 0.662 -0.199 -15.933 269 HG11 VAL 40 1HG1 VAL 40 2.166 2.376 -15.862 270 HG12 VAL 40 2HG1 VAL 40 2.289 1.031 -16.998 271 HG13 VAL 40 3HG1 VAL 40 0.917 2.137 -17.084 272 HG21 VAL 40 1HG2 VAL 40 2.571 1.040 -14.242 273 HG22 VAL 40 2HG2 VAL 40 1.069 0.874 -13.332 274 HG23 VAL 40 3HG2 VAL 40 1.816 -0.544 -14.067 275 H LEU 41 H LEU 41 -2.875 1.679 -14.207 276 HA LEU 41 HA LEU 41 -3.037 -1.090 -13.211 277 HB2 LEU 41 1HB LEU 41 -3.862 1.496 -11.970 278 HB3 LEU 41 2HB LEU 41 -4.752 0.026 -11.580 279 HG LEU 41 HG LEU 41 -1.782 0.358 -11.178 280 HD11 LEU 41 1HD1 LEU 41 -2.227 0.732 -8.858 281 HD12 LEU 41 2HD1 LEU 41 -3.960 0.518 -9.103 282 HD13 LEU 41 3HD1 LEU 41 -3.139 1.919 -9.792 283 HD21 LEU 41 1HD2 LEU 41 -3.711 -1.696 -10.103 284 HD22 LEU 41 2HD2 LEU 41 -1.967 -1.645 -9.847 285 HD23 LEU 41 3HD2 LEU 41 -2.613 -1.954 -11.459 286 HA PRO 42 HA PRO 42 -6.686 -1.638 -15.591 287 HB2 PRO 42 1HB PRO 42 -8.090 -3.342 -14.011 288 HB3 PRO 42 2HB PRO 42 -6.652 -3.834 -14.915 289 HG2 PRO 42 1HG PRO 42 -6.912 -3.085 -12.028 290 HG3 PRO 42 2HG PRO 42 -5.997 -4.416 -12.761 291 HD2 PRO 42 1HD PRO 42 -4.827 -2.106 -11.968 292 HD3 PRO 42 2HD PRO 42 -4.240 -3.047 -13.354 293 H ASP 43 H ASP 43 -9.017 -1.324 -15.611 294 HA ASP 43 HA ASP 43 -9.788 0.961 -14.051 295 HB2 ASP 43 1HB ASP 43 -11.229 -0.674 -16.141 296 HB3 ASP 43 2HB ASP 43 -11.957 0.714 -15.337 297 H ASN 44 H ASN 44 -10.269 -2.456 -13.878 298 HA ASN 44 HA ASN 44 -12.202 -2.068 -11.687 299 HB2 ASN 44 1HB ASN 44 -12.989 -4.375 -12.172 300 HB3 ASN 44 2HB ASN 44 -13.231 -3.273 -13.525 301 HD21 ASN 44 1HD2 ASN 44 -13.412 -5.525 -14.497 302 HD22 ASN 44 2HD2 ASN 44 -11.960 -6.181 -15.166 303 H TRP 45 H TRP 45 -9.994 -1.693 -10.594 304 HA TRP 45 HA TRP 45 -8.574 -4.148 -9.952 305 HB2 TRP 45 1HB TRP 45 -7.354 -2.007 -10.361 306 HB3 TRP 45 2HB TRP 45 -8.100 -1.349 -8.908 307 HD1 TRP 45 HD TRP 45 -5.228 -3.480 -10.062 308 HE1 TRP 45 1HE TRP 45 -3.834 -4.226 -8.030 309 HE3 TRP 45 3HE TRP 45 -8.398 -2.024 -6.325 310 HZ2 TRP 45 2HZ TRP 45 -4.051 -4.200 -5.216 311 HZ3 TRP 45 3HZ TRP 45 -7.730 -2.421 -3.991 312 HH2 TRP 45 HH TRP 45 -5.602 -3.487 -3.450 313 H SER 46 H SER 46 -8.497 -5.106 -7.941 314 HA SER 46 HA SER 46 -10.212 -4.008 -5.833 315 HB2 SER 46 1HB SER 46 -10.974 -6.466 -5.458 316 HB3 SER 46 2HB SER 46 -11.738 -5.530 -6.742 317 HG SER 46 HG SER 46 -10.540 -7.830 -6.990 318 H CYS 47 H CYS 47 -9.988 -5.554 -3.816 319 HA CYS 47 HA CYS 47 -7.354 -5.353 -2.914 320 HB2 CYS 47 1HB CYS 47 -9.489 -7.203 -1.835 321 HB3 CYS 47 2HB CYS 47 -8.082 -6.601 -0.965 322 H ASP 48 H ASP 48 -9.017 -7.940 -4.558 323 HA ASP 48 HA ASP 48 -7.212 -10.029 -3.969 324 HB2 ASP 48 1HB ASP 48 -9.396 -10.548 -4.844 325 HB3 ASP 48 2HB ASP 48 -9.084 -9.616 -6.306 326 H GLN 49 H GLN 49 -6.934 -7.282 -5.963 327 HA GLN 49 HA GLN 49 -4.781 -8.478 -7.550 328 HB2 GLN 49 1HB GLN 49 -6.319 -5.899 -7.818 329 HB3 GLN 49 2HB GLN 49 -4.884 -6.249 -8.773 330 HG2 GLN 49 1HG GLN 49 -5.948 -8.130 -9.799 331 HG3 GLN 49 2HG GLN 49 -7.341 -7.983 -8.730 332 HE21 GLN 49 1HE2 GLN 49 -9.033 -7.208 -9.744 333 HE22 GLN 49 2HE2 GLN 49 -9.025 -5.989 -10.968 334 H ASN 50 H ASN 50 -4.544 -7.823 -4.685 335 HA ASN 50 HA ASN 50 -2.685 -5.572 -4.682 336 HB2 ASN 50 1HB ASN 50 -4.525 -6.161 -2.873 337 HB3 ASN 50 2HB ASN 50 -3.249 -7.195 -2.237 338 HD21 ASN 50 1HD2 ASN 50 -2.402 -6.218 -0.548 339 HD22 ASN 50 2HD2 ASN 50 -1.918 -4.561 -0.471 340 H THR 51 H THR 51 -0.563 -5.780 -3.729 341 HA THR 51 HA THR 51 0.681 -8.320 -4.457 342 HB THR 51 HB THR 51 2.782 -7.172 -4.450 343 HG1 THR 51 1HG THR 51 2.781 -5.805 -2.760 344 HG21 THR 51 1HG2 THR 51 2.396 -6.108 -6.383 345 HG22 THR 51 2HG2 THR 51 1.340 -4.924 -5.612 346 HG23 THR 51 3HG2 THR 51 0.694 -6.484 -6.119 347 H ASP 52 H ASP 52 -0.190 -6.484 -1.682 348 HA ASP 52 HA ASP 52 1.629 -7.933 0.073 349 HB2 ASP 52 1HB ASP 52 1.044 -5.444 0.308 350 HB3 ASP 52 2HB ASP 52 -0.504 -5.993 0.945 351 H VAL 53 H VAL 53 1.059 -9.930 0.623 352 HA VAL 53 HA VAL 53 -1.465 -11.067 0.415 353 HB VAL 53 HB VAL 53 -0.646 -12.879 1.826 354 HG11 VAL 53 1HG1 VAL 53 0.220 -13.369 -0.192 355 HG12 VAL 53 2HG1 VAL 53 0.927 -11.765 -0.395 356 HG13 VAL 53 3HG1 VAL 53 1.754 -12.978 0.583 357 HG21 VAL 53 1HG2 VAL 53 0.492 -11.992 3.612 358 HG22 VAL 53 2HG2 VAL 53 1.837 -12.536 2.608 359 HG23 VAL 53 3HG2 VAL 53 1.374 -10.834 2.615 360 H GLN 54 H GLN 54 -0.122 -9.083 2.916 361 HA GLN 54 HA GLN 54 -1.867 -9.820 5.019 362 HB2 GLN 54 1HB GLN 54 -0.502 -7.158 4.594 363 HB3 GLN 54 2HB GLN 54 -1.128 -7.784 6.113 364 HG2 GLN 54 1HG GLN 54 0.556 -9.763 5.503 365 HG3 GLN 54 2HG GLN 54 1.364 -8.434 4.673 366 HE21 GLN 54 1HE2 GLN 54 2.082 -10.018 7.078 367 HE22 GLN 54 2HE2 GLN 54 2.372 -8.849 8.316 368 H TYR 55 H TYR 55 -2.264 -7.863 2.216 369 HA TYR 55 HA TYR 55 -5.018 -7.304 3.007 370 HB2 TYR 55 1HB TYR 55 -3.201 -5.145 1.922 371 HB3 TYR 55 2HB TYR 55 -4.890 -4.966 2.381 372 HD1 TYR 55 2HD TYR 55 -1.486 -5.569 3.693 373 HD2 TYR 55 1HD TYR 55 -5.512 -4.567 4.635 374 HE1 TYR 55 2HE TYR 55 -0.795 -4.965 5.975 375 HE2 TYR 55 1HE TYR 55 -4.832 -3.958 6.919 376 HH TYR 55 HH TYR 55 -2.349 -4.876 8.405 377 H ASN 56 H ASN 56 -4.459 -9.247 1.296 378 HA ASN 56 HA ASN 56 -4.843 -8.102 -1.389 379 HB2 ASN 56 1HB ASN 56 -3.784 -9.948 -2.324 380 HB3 ASN 56 2HB ASN 56 -2.876 -9.726 -0.831 381 HD21 ASN 56 1HD2 ASN 56 -3.388 -11.093 0.968 382 HD22 ASN 56 2HD2 ASN 56 -4.031 -12.673 0.694 383 H ARG 57 H ARG 57 -6.834 -8.654 0.821 384 HA ARG 57 HA ARG 57 -8.708 -10.192 -0.837 385 HB2 ARG 57 1HB ARG 57 -8.393 -10.465 2.158 386 HB3 ARG 57 2HB ARG 57 -9.640 -11.240 1.190 387 HG2 ARG 57 1HG ARG 57 -6.989 -11.803 0.174 388 HG3 ARG 57 2HG ARG 57 -7.172 -12.289 1.861 389 HD2 ARG 57 1HD ARG 57 -9.297 -13.449 1.186 390 HD3 ARG 57 2HD ARG 57 -8.859 -13.123 -0.490 391 HE ARG 57 HE ARG 57 -6.798 -14.464 0.992 392 HH11 ARG 57 1HH1 ARG 57 -9.705 -14.882 -0.877 393 HH12 ARG 57 2HH1 ARG 57 -9.330 -16.509 -1.339 394 HH21 ARG 57 1HH2 ARG 57 -6.293 -16.606 0.391 395 HH22 ARG 57 2HH2 ARG 57 -7.390 -17.489 -0.616 396 H CYS 58 H CYS 58 -10.956 -9.703 -0.448 397 HA CYS 58 HA CYS 58 -11.346 -6.898 0.133 398 HB2 CYS 58 1HB CYS 58 -13.103 -9.086 -0.953 399 HB3 CYS 58 2HB CYS 58 -13.779 -7.531 -0.478 400 H ASP 59 H ASP 59 -11.158 -9.540 2.033 401 HA ASP 59 HA ASP 59 -13.319 -8.735 3.845 402 HB2 ASP 59 1HB ASP 59 -12.895 -11.182 3.119 403 HB3 ASP 59 2HB ASP 59 -11.537 -11.126 4.239 404 H ILE 60 H ILE 60 -9.889 -8.693 3.472 405 HA ILE 60 HA ILE 60 -9.197 -8.365 6.212 406 HB ILE 60 HB ILE 60 -7.670 -7.540 3.740 407 HG12 ILE 60 1HG1 ILE 60 -7.165 -9.960 5.458 408 HG13 ILE 60 2HG1 ILE 60 -8.291 -10.015 4.107 409 HG21 ILE 60 1HG2 ILE 60 -7.194 -6.979 6.480 410 HG22 ILE 60 2HG2 ILE 60 -5.984 -8.141 5.941 411 HG23 ILE 60 3HG2 ILE 60 -6.176 -6.609 5.089 412 HD11 ILE 60 1HD1 ILE 60 -6.446 -10.704 3.016 413 HD12 ILE 60 2HD1 ILE 60 -6.177 -8.967 2.860 414 HD13 ILE 60 3HD1 ILE 60 -5.348 -9.878 4.122 415 HA PRO 61 HA PRO 61 -10.594 -4.173 6.668 416 HB2 PRO 61 1HB PRO 61 -9.551 -3.776 9.142 417 HB3 PRO 61 2HB PRO 61 -11.016 -4.723 8.858 418 HG2 PRO 61 1HG PRO 61 -8.208 -5.664 9.300 419 HG3 PRO 61 2HG PRO 61 -9.721 -6.303 9.969 420 HD2 PRO 61 1HD PRO 61 -8.454 -7.455 7.871 421 HD3 PRO 61 2HD PRO 61 -10.221 -7.478 8.050 422 H GLU 62 H GLU 62 -9.681 -2.051 6.911 423 HA GLU 62 HA GLU 62 -7.157 -1.766 5.634 424 HB2 GLU 62 1HB GLU 62 -8.856 0.310 7.030 425 HB3 GLU 62 2HB GLU 62 -7.501 0.649 5.962 426 HG2 GLU 62 1HG GLU 62 -8.653 -0.066 4.070 427 HG3 GLU 62 2HG GLU 62 -9.851 -0.945 5.019 428 H GLU 63 H GLU 63 -5.307 -0.601 6.475 429 HA GLU 63 HA GLU 63 -4.721 -1.411 9.209 430 HB2 GLU 63 1HB GLU 63 -3.129 -1.866 7.333 431 HB3 GLU 63 2HB GLU 63 -2.886 -0.132 7.177 432 HG2 GLU 63 1HG GLU 63 -1.143 -1.401 8.482 433 HG3 GLU 63 2HG GLU 63 -1.831 0.019 9.268 434 H THR 64 H THR 64 -5.231 -0.054 10.788 435 HA THR 64 HA THR 64 -4.984 2.840 10.307 436 HB THR 64 HB THR 64 -6.393 2.838 12.554 437 HG1 THR 64 1HG THR 64 -7.066 0.903 13.053 438 HG21 THR 64 1HG2 THR 64 -8.451 2.394 10.842 439 HG22 THR 64 2HG2 THR 64 -7.137 2.709 9.708 440 HG23 THR 64 3HG2 THR 64 -7.549 3.906 10.936 441 H TRP 65 H TRP 65 -4.192 4.167 12.062 442 HA TRP 65 HA TRP 65 -2.034 2.830 13.505 443 HB2 TRP 65 1HB TRP 65 -2.617 5.689 12.787 444 HB3 TRP 65 2HB TRP 65 -1.447 5.305 14.047 445 HD1 TRP 65 HD TRP 65 -2.039 4.105 10.389 446 HE1 TRP 65 1HE TRP 65 0.256 3.970 9.230 447 HE3 TRP 65 3HE TRP 65 0.929 5.540 14.296 448 HZ2 TRP 65 2HZ TRP 65 2.965 4.411 9.887 449 HZ3 TRP 65 3HZ TRP 65 3.362 5.657 13.948 450 HH2 TRP 65 HH TRP 65 4.357 5.103 11.789 451 H THR 66 H THR 66 -1.675 3.149 15.745 452 HA THR 66 HA THR 66 -4.151 3.426 17.257 453 HB THR 66 HB THR 66 -2.698 2.654 19.192 454 HG1 THR 66 1HG THR 66 -0.707 1.634 18.480 455 HG21 THR 66 1HG2 THR 66 -3.696 0.737 18.642 456 HG22 THR 66 2HG2 THR 66 -2.314 0.370 17.609 457 HG23 THR 66 3HG2 THR 66 -3.725 1.188 16.938 458 H GLY 67 H GLY 67 -4.132 5.798 16.769 459 HA2 GLY 67 1HA GLY 67 -4.028 7.535 18.641 460 HA3 GLY 67 2HA GLY 67 -2.294 7.264 18.550 461 H LEU 68 H LEU 68 -3.794 9.729 18.122 462 HA LEU 68 HA LEU 68 -3.485 10.213 15.259 463 HB2 LEU 68 1HB LEU 68 -5.510 11.035 16.283 464 HB3 LEU 68 2HB LEU 68 -4.579 11.925 17.486 465 HG LEU 68 HG LEU 68 -3.711 13.382 15.690 466 HD11 LEU 68 1HD1 LEU 68 -5.017 13.290 13.510 467 HD12 LEU 68 2HD1 LEU 68 -5.493 11.662 13.991 468 HD13 LEU 68 3HD1 LEU 68 -3.788 12.049 13.759 469 HD21 LEU 68 1HD2 LEU 68 -5.893 14.524 15.215 470 HD22 LEU 68 2HD2 LEU 68 -5.584 14.185 16.919 471 HD23 LEU 68 3HD2 LEU 68 -6.698 13.168 16.005 472 H GLU 69 H GLU 69 -1.207 10.119 15.134 473 HA GLU 69 HA GLU 69 0.432 11.857 16.725 474 HB2 GLU 69 1HB GLU 69 0.968 10.096 14.342 475 HB3 GLU 69 2HB GLU 69 2.206 11.148 15.013 476 HG2 GLU 69 1HG GLU 69 2.273 9.974 17.034 477 HG3 GLU 69 2HG GLU 69 0.740 9.166 16.715 Start of MODEL 17 1 H1 GLY 1 H GLY 1 24.757 7.553 -40.011 2 HA2 GLY 1 1HA GLY 1 25.894 8.620 -37.531 3 HA3 GLY 1 2HA GLY 1 24.495 9.442 -38.205 4 H SER 2 H SER 2 25.075 5.967 -38.258 5 HA SER 2 HA SER 2 22.596 5.612 -36.729 6 HB2 SER 2 1HB SER 2 22.581 4.514 -38.887 7 HB3 SER 2 2HB SER 2 24.112 3.713 -38.534 8 HG SER 2 HG SER 2 22.105 2.460 -38.207 9 H SER 3 H SER 3 24.340 6.318 -34.973 10 HA SER 3 HA SER 3 25.495 3.854 -33.841 11 HB2 SER 3 1HB SER 3 27.209 5.120 -32.847 12 HB3 SER 3 2HB SER 3 27.022 5.852 -34.440 13 HG SER 3 HG SER 3 26.913 7.589 -33.205 14 H GLY 4 H GLY 4 24.704 3.117 -31.975 15 HA2 GLY 4 1HA GLY 4 22.436 4.351 -30.775 16 HA3 GLY 4 2HA GLY 4 23.282 2.933 -30.175 17 H SER 5 H SER 5 22.302 5.799 -29.197 18 HA SER 5 HA SER 5 24.632 6.183 -27.441 19 HB2 SER 5 1HB SER 5 23.019 8.283 -28.885 20 HB3 SER 5 2HB SER 5 23.986 8.663 -27.460 21 HG SER 5 HG SER 5 25.818 8.089 -28.556 22 H SER 6 H SER 6 23.009 4.609 -26.329 23 HA SER 6 HA SER 6 20.646 5.673 -25.184 24 HB2 SER 6 1HB SER 6 20.648 3.354 -25.185 25 HB3 SER 6 2HB SER 6 22.337 3.251 -24.688 26 HG SER 6 HG SER 6 20.616 2.746 -23.075 27 H GLY 7 H GLY 7 20.238 6.379 -23.068 28 HA2 GLY 7 1HA GLY 7 22.609 7.516 -21.737 29 HA3 GLY 7 2HA GLY 7 20.977 8.158 -21.618 30 H GLU 8 H GLU 8 22.350 7.814 -19.328 31 HA GLU 8 HA GLU 8 21.941 5.249 -18.142 32 HB2 GLU 8 1HB GLU 8 22.535 7.943 -16.906 33 HB3 GLU 8 2HB GLU 8 22.511 6.427 -16.016 34 HG2 GLU 8 1HG GLU 8 24.299 5.594 -17.549 35 HG3 GLU 8 2HG GLU 8 24.396 7.222 -18.218 36 H ILE 9 H ILE 9 20.211 4.456 -17.123 37 HA ILE 9 HA ILE 9 17.729 5.855 -17.220 38 HB ILE 9 HB ILE 9 18.316 3.322 -15.689 39 HG12 ILE 9 1HG1 ILE 9 19.065 3.109 -18.025 40 HG13 ILE 9 2HG1 ILE 9 17.654 2.107 -17.708 41 HG21 ILE 9 1HG2 ILE 9 16.177 4.402 -15.180 42 HG22 ILE 9 2HG2 ILE 9 15.763 4.381 -16.894 43 HG23 ILE 9 3HG2 ILE 9 15.948 2.865 -16.013 44 HD11 ILE 9 1HD1 ILE 9 17.566 3.258 -19.880 45 HD12 ILE 9 2HD1 ILE 9 16.227 3.695 -18.817 46 HD13 ILE 9 3HD1 ILE 9 17.579 4.806 -19.034 47 H SER 10 H SER 10 17.191 7.429 -15.868 48 HA SER 10 HA SER 10 18.111 7.269 -13.075 49 HB2 SER 10 1HB SER 10 19.001 9.261 -13.925 50 HB3 SER 10 2HB SER 10 17.566 9.602 -14.891 51 HG SER 10 HG SER 10 17.835 9.779 -12.074 52 H GLY 11 H GLY 11 16.636 6.948 -11.544 53 HA2 GLY 11 1HA GLY 11 14.080 8.126 -11.489 54 HA3 GLY 11 2HA GLY 11 13.930 6.485 -12.101 55 H PHE 12 H PHE 12 12.761 7.431 -9.702 56 HA PHE 12 HA PHE 12 14.338 6.640 -7.456 57 HB2 PHE 12 1HB PHE 12 11.402 7.234 -7.809 58 HB3 PHE 12 2HB PHE 12 12.082 6.733 -6.264 59 HD1 PHE 12 2HD PHE 12 14.578 8.159 -6.095 60 HD2 PHE 12 1HD PHE 12 10.833 9.455 -7.648 61 HE1 PHE 12 2HE PHE 12 15.187 10.492 -5.607 62 HE2 PHE 12 1HE PHE 12 11.436 11.790 -7.164 63 HZ PHE 12 HZ PHE 12 13.615 12.312 -6.141 64 H GLY 13 H GLY 13 14.196 4.778 -6.206 65 HA2 GLY 13 1HA GLY 13 13.406 2.407 -7.676 66 HA3 GLY 13 2HA GLY 13 14.262 2.449 -6.143 67 H GLN 14 H GLN 14 12.863 3.340 -4.280 68 HA GLN 14 HA GLN 14 10.378 1.809 -4.313 69 HB2 GLN 14 1HB GLN 14 12.217 2.812 -2.197 70 HB3 GLN 14 2HB GLN 14 10.524 2.597 -1.774 71 HG2 GLN 14 1HG GLN 14 10.735 0.247 -2.686 72 HG3 GLN 14 2HG GLN 14 12.476 0.525 -2.720 73 HE21 GLN 14 1HE2 GLN 14 13.617 0.576 -0.824 74 HE22 GLN 14 2HE2 GLN 14 12.939 0.129 0.701 75 H CYS 15 H CYS 15 8.395 2.684 -3.543 76 HA CYS 15 HA CYS 15 8.148 5.528 -3.139 77 HB2 CYS 15 1HB CYS 15 6.494 5.786 -5.021 78 HB3 CYS 15 2HB CYS 15 8.165 5.576 -5.530 79 HG CYS 15 HG CYS 15 6.884 4.118 -7.379 80 H LEU 16 H LEU 16 5.829 6.148 -2.770 81 HA LEU 16 HA LEU 16 4.427 3.918 -1.459 82 HB2 LEU 16 1HB LEU 16 4.721 6.812 -0.817 83 HB3 LEU 16 2HB LEU 16 3.256 5.974 -0.309 84 HG LEU 16 HG LEU 16 4.763 4.322 0.872 85 HD11 LEU 16 1HD1 LEU 16 6.754 5.944 -0.409 86 HD12 LEU 16 2HD1 LEU 16 6.943 4.440 0.492 87 HD13 LEU 16 3HD1 LEU 16 6.964 5.985 1.342 88 HD21 LEU 16 1HD2 LEU 16 3.600 6.563 1.750 89 HD22 LEU 16 2HD2 LEU 16 5.284 6.971 2.082 90 HD23 LEU 16 3HD2 LEU 16 4.572 5.519 2.786 91 H VAL 17 H VAL 17 2.857 3.171 -2.729 92 HA VAL 17 HA VAL 17 1.043 5.128 -3.977 93 HB VAL 17 HB VAL 17 0.673 3.399 -5.790 94 HG11 VAL 17 1HG1 VAL 17 2.045 5.494 -6.006 95 HG12 VAL 17 2HG1 VAL 17 3.473 4.503 -5.704 96 HG13 VAL 17 3HG1 VAL 17 2.470 4.198 -7.123 97 HG21 VAL 17 1HG2 VAL 17 1.926 1.527 -5.965 98 HG22 VAL 17 2HG2 VAL 17 3.364 2.295 -5.293 99 HG23 VAL 17 3HG2 VAL 17 2.083 1.730 -4.220 100 H TRP 18 H TRP 18 -1.095 4.783 -3.703 101 HA TRP 18 HA TRP 18 -1.906 2.276 -2.383 102 HB2 TRP 18 1HB TRP 18 -2.981 5.056 -1.860 103 HB3 TRP 18 2HB TRP 18 -3.585 3.574 -1.126 104 HD1 TRP 18 HD TRP 18 -0.290 5.618 -1.250 105 HE1 TRP 18 1HE TRP 18 0.915 5.311 1.004 106 HE3 TRP 18 3HE TRP 18 -3.481 2.270 0.929 107 HZ2 TRP 18 2HZ TRP 18 0.561 3.843 3.389 108 HZ3 TRP 18 3HZ TRP 18 -2.976 1.464 3.198 109 HH2 TRP 18 HH TRP 18 -0.996 2.235 4.401 110 H VAL 19 H VAL 19 -3.920 1.420 -2.931 111 HA VAL 19 HA VAL 19 -5.304 2.700 -5.190 112 HB VAL 19 HB VAL 19 -5.721 0.366 -6.085 113 HG11 VAL 19 1HG1 VAL 19 -3.661 0.309 -7.323 114 HG12 VAL 19 2HG1 VAL 19 -4.121 1.994 -7.066 115 HG13 VAL 19 3HG1 VAL 19 -2.844 1.268 -6.089 116 HG21 VAL 19 1HG2 VAL 19 -4.030 -1.338 -5.466 117 HG22 VAL 19 2HG2 VAL 19 -3.482 -0.277 -4.168 118 HG23 VAL 19 3HG2 VAL 19 -5.121 -0.928 -4.142 119 H GLN 20 H GLN 20 -7.466 2.765 -5.024 120 HA GLN 20 HA GLN 20 -8.680 1.597 -2.647 121 HB2 GLN 20 1HB GLN 20 -9.007 4.022 -3.409 122 HB3 GLN 20 2HB GLN 20 -10.052 3.365 -4.661 123 HG2 GLN 20 1HG GLN 20 -11.213 2.184 -2.627 124 HG3 GLN 20 2HG GLN 20 -10.464 3.498 -1.720 125 HE21 GLN 20 1HE2 GLN 20 -12.140 4.768 -1.242 126 HE22 GLN 20 2HE2 GLN 20 -13.218 5.467 -2.396 127 H CYS 21 H CYS 21 -10.078 -0.061 -2.655 128 HA CYS 21 HA CYS 21 -10.255 -1.848 -4.754 129 HB2 CYS 21 1HB CYS 21 -10.866 -2.190 -2.290 130 HB3 CYS 21 2HB CYS 21 -12.444 -1.528 -2.706 131 H SER 22 H SER 22 -12.085 -2.479 -6.077 132 HA SER 22 HA SER 22 -13.341 -0.163 -7.281 133 HB2 SER 22 1HB SER 22 -12.571 -1.623 -8.924 134 HB3 SER 22 2HB SER 22 -13.068 -3.057 -8.026 135 HG SER 22 HG SER 22 -15.128 -2.761 -8.661 136 H PHE 23 H PHE 23 -14.197 -2.776 -5.178 137 HA PHE 23 HA PHE 23 -17.029 -2.583 -5.586 138 HB2 PHE 23 1HB PHE 23 -15.421 -3.891 -3.384 139 HB3 PHE 23 2HB PHE 23 -17.164 -4.048 -3.578 140 HD1 PHE 23 1HD PHE 23 -17.867 -4.789 -6.057 141 HD2 PHE 23 2HD PHE 23 -14.128 -5.596 -4.189 142 HE1 PHE 23 1HE PHE 23 -17.527 -6.700 -7.570 143 HE2 PHE 23 2HE PHE 23 -13.782 -7.507 -5.699 144 HZ PHE 23 HZ PHE 23 -15.482 -8.061 -7.393 145 HA PRO 24 HA PRO 24 -17.908 0.851 -2.981 146 HB2 PRO 24 1HB PRO 24 -20.484 0.274 -2.346 147 HB3 PRO 24 2HB PRO 24 -19.995 0.856 -3.942 148 HG2 PRO 24 1HG PRO 24 -20.562 -1.941 -3.037 149 HG3 PRO 24 2HG PRO 24 -21.045 -1.131 -4.539 150 HD2 PRO 24 1HD PRO 24 -18.951 -2.843 -4.416 151 HD3 PRO 24 2HD PRO 24 -18.988 -1.457 -5.525 152 H ASN 25 H ASN 25 -19.139 -2.264 -1.746 153 HA ASN 25 HA ASN 25 -19.308 -1.554 0.941 154 HB2 ASN 25 1HB ASN 25 -19.571 -3.836 1.405 155 HB3 ASN 25 2HB ASN 25 -20.132 -3.689 -0.257 156 HD21 ASN 25 1HD2 ASN 25 -19.066 -4.728 -1.860 157 HD22 ASN 25 2HD2 ASN 25 -17.720 -5.779 -1.598 158 H CYS 26 H CYS 26 -16.553 -2.281 -1.011 159 HA CYS 26 HA CYS 26 -14.805 -2.738 1.260 160 HB2 CYS 26 1HB CYS 26 -14.681 -3.152 -1.613 161 HB3 CYS 26 2HB CYS 26 -13.217 -2.384 -1.006 162 H GLY 27 H GLY 27 -14.321 -0.591 -1.534 163 HA2 GLY 27 1HA GLY 27 -13.410 1.515 -1.661 164 HA3 GLY 27 2HA GLY 27 -14.437 1.863 -0.278 165 H LYS 28 H LYS 28 -11.908 -0.528 -0.111 166 HA LYS 28 HA LYS 28 -10.561 1.096 1.908 167 HB2 LYS 28 1HB LYS 28 -10.202 -1.804 1.128 168 HB3 LYS 28 2HB LYS 28 -9.334 -0.998 2.429 169 HG2 LYS 28 1HG LYS 28 -11.463 -0.584 3.576 170 HG3 LYS 28 2HG LYS 28 -12.311 -1.435 2.282 171 HD2 LYS 28 1HD LYS 28 -11.157 -3.485 2.813 172 HD3 LYS 28 2HD LYS 28 -10.158 -2.656 4.008 173 HE2 LYS 28 1HE LYS 28 -11.989 -3.928 5.044 174 HE3 LYS 28 2HE LYS 28 -12.111 -2.200 5.367 175 HZ1 LYS 28 1HZ LYS 28 -13.544 -3.288 3.055 176 HZ2 LYS 28 2HZ LYS 28 -13.949 -1.989 4.060 177 HZ3 LYS 28 3HZ LYS 28 -14.179 -3.577 4.596 178 H TRP 29 H TRP 29 -8.378 1.622 1.829 179 HA TRP 29 HA TRP 29 -7.255 1.688 -0.869 180 HB2 TRP 29 1HB TRP 29 -6.651 3.205 1.663 181 HB3 TRP 29 2HB TRP 29 -5.571 3.256 0.273 182 HD1 TRP 29 HD TRP 29 -8.830 4.654 1.566 183 HE1 TRP 29 1HE TRP 29 -9.749 6.371 -0.117 184 HE3 TRP 29 3HE TRP 29 -5.648 3.755 -2.333 185 HZ2 TRP 29 2HZ TRP 29 -9.199 7.230 -2.748 186 HZ3 TRP 29 3HZ TRP 29 -5.911 5.067 -4.397 187 HH2 TRP 29 HH TRP 29 -7.651 6.768 -4.599 188 H ARG 30 H ARG 30 -6.247 -0.209 -1.275 189 HA ARG 30 HA ARG 30 -4.649 -1.531 0.731 190 HB2 ARG 30 1HB ARG 30 -4.950 -2.158 -2.212 191 HB3 ARG 30 2HB ARG 30 -4.236 -3.207 -0.994 192 HG2 ARG 30 1HG ARG 30 -7.066 -2.258 -0.757 193 HG3 ARG 30 2HG ARG 30 -6.643 -3.663 -1.738 194 HD2 ARG 30 1HD ARG 30 -6.956 -4.786 0.188 195 HD3 ARG 30 2HD ARG 30 -5.318 -4.239 0.543 196 HE ARG 30 HE ARG 30 -6.817 -2.221 1.495 197 HH11 ARG 30 1HH1 ARG 30 -6.984 -5.672 1.921 198 HH12 ARG 30 2HH1 ARG 30 -7.655 -5.574 3.516 199 HH21 ARG 30 1HH2 ARG 30 -7.700 -2.079 3.594 200 HH22 ARG 30 2HH2 ARG 30 -8.062 -3.530 4.466 201 H ARG 31 H ARG 31 -2.453 -1.625 0.862 202 HA ARG 31 HA ARG 31 -0.989 0.398 -0.635 203 HB2 ARG 31 1HB ARG 31 0.817 -0.013 0.966 204 HB3 ARG 31 2HB ARG 31 -0.702 0.304 1.794 205 HG2 ARG 31 1HG ARG 31 -0.980 -2.181 2.022 206 HG3 ARG 31 2HG ARG 31 0.672 -2.343 1.424 207 HD2 ARG 31 1HD ARG 31 1.169 -0.590 3.329 208 HD3 ARG 31 2HD ARG 31 -0.321 -1.246 4.008 209 HE ARG 31 HE ARG 31 1.162 -3.448 3.397 210 HH11 ARG 31 1HH1 ARG 31 1.702 -0.581 5.297 211 HH12 ARG 31 2HH1 ARG 31 2.777 -1.363 6.409 212 HH21 ARG 31 1HH2 ARG 31 2.575 -4.488 4.854 213 HH22 ARG 31 2HH2 ARG 31 3.273 -3.586 6.156 214 H LEU 32 H LEU 32 0.319 -0.033 -2.289 215 HA LEU 32 HA LEU 32 0.812 -2.834 -2.978 216 HB2 LEU 32 1HB LEU 32 1.025 -0.277 -4.549 217 HB3 LEU 32 2HB LEU 32 1.579 -1.833 -5.165 218 HG LEU 32 HG LEU 32 -1.266 -1.227 -4.365 219 HD11 LEU 32 1HD1 LEU 32 -0.636 -1.679 -7.189 220 HD12 LEU 32 2HD1 LEU 32 0.005 -0.175 -6.527 221 HD13 LEU 32 3HD1 LEU 32 -1.724 -0.511 -6.437 222 HD21 LEU 32 1HD2 LEU 32 -0.085 -3.542 -5.895 223 HD22 LEU 32 2HD2 LEU 32 -1.785 -3.309 -5.487 224 HD23 LEU 32 3HD2 LEU 32 -0.602 -3.593 -4.209 225 H CYS 33 H CYS 33 2.970 -3.296 -4.023 226 HA CYS 33 HA CYS 33 5.038 -2.695 -2.175 227 HB2 CYS 33 1HB CYS 33 5.037 -4.826 -3.302 228 HB3 CYS 33 2HB CYS 33 5.095 -4.046 -4.878 229 HG CYS 33 HG CYS 33 7.579 -5.254 -4.272 230 H GLY 34 H GLY 34 5.168 -2.187 -5.700 231 HA2 GLY 34 1HA GLY 34 5.621 0.569 -5.658 232 HA3 GLY 34 2HA GLY 34 7.186 -0.220 -5.537 233 H ASN 35 H ASN 35 6.895 1.324 -7.658 234 HA ASN 35 HA ASN 35 7.062 1.384 -9.925 235 HB2 ASN 35 1HB ASN 35 7.092 -1.619 -10.001 236 HB3 ASN 35 2HB ASN 35 7.970 -0.476 -11.014 237 HD21 ASN 35 1HD2 ASN 35 7.980 -2.319 -8.136 238 HD22 ASN 35 2HD2 ASN 35 9.551 -1.862 -7.581 239 H ILE 36 H ILE 36 4.466 1.354 -8.747 240 HA ILE 36 HA ILE 36 2.938 0.278 -11.015 241 HB ILE 36 HB ILE 36 2.094 0.089 -8.121 242 HG12 ILE 36 1HG1 ILE 36 2.510 -2.197 -10.034 243 HG13 ILE 36 2HG1 ILE 36 3.838 -1.558 -9.072 244 HG21 ILE 36 1HG2 ILE 36 0.253 -1.349 -9.329 245 HG22 ILE 36 2HG2 ILE 36 0.086 0.399 -9.175 246 HG23 ILE 36 3HG2 ILE 36 0.647 -0.302 -10.692 247 HD11 ILE 36 1HD1 ILE 36 1.331 -2.295 -7.671 248 HD12 ILE 36 2HD1 ILE 36 2.383 -3.587 -8.251 249 HD13 ILE 36 3HD1 ILE 36 3.006 -2.382 -7.124 250 H ASP 37 H ASP 37 1.195 1.502 -11.678 251 HA ASP 37 HA ASP 37 0.681 4.005 -10.227 252 HB2 ASP 37 1HB ASP 37 2.024 3.799 -12.712 253 HB3 ASP 37 2HB ASP 37 0.423 4.449 -13.049 254 HA PRO 38 HA PRO 38 -3.566 3.034 -10.774 255 HB2 PRO 38 1HB PRO 38 -4.644 5.525 -10.744 256 HB3 PRO 38 2HB PRO 38 -4.007 4.737 -9.295 257 HG2 PRO 38 1HG PRO 38 -2.717 6.780 -11.062 258 HG3 PRO 38 2HG PRO 38 -2.733 6.682 -9.292 259 HD2 PRO 38 1HD PRO 38 -0.616 5.879 -10.777 260 HD3 PRO 38 2HD PRO 38 -1.052 5.106 -9.239 261 H SER 39 H SER 39 -2.056 5.350 -12.938 262 HA SER 39 HA SER 39 -4.156 5.571 -14.807 263 HB2 SER 39 1HB SER 39 -1.874 6.902 -14.520 264 HB3 SER 39 2HB SER 39 -1.321 5.742 -15.727 265 HG SER 39 HG SER 39 -3.433 7.614 -15.936 266 H VAL 40 H VAL 40 -1.524 3.271 -14.443 267 HA VAL 40 HA VAL 40 -2.216 1.917 -16.923 268 HB VAL 40 HB VAL 40 -0.349 0.401 -16.382 269 HG11 VAL 40 1HG1 VAL 40 1.099 1.841 -17.293 270 HG12 VAL 40 2HG1 VAL 40 -0.215 3.016 -17.211 271 HG13 VAL 40 3HG1 VAL 40 0.991 2.950 -15.926 272 HG21 VAL 40 1HG2 VAL 40 -0.626 0.553 -13.908 273 HG22 VAL 40 2HG2 VAL 40 1.040 0.734 -14.458 274 HG23 VAL 40 3HG2 VAL 40 0.113 2.153 -13.973 275 H LEU 41 H LEU 41 -2.800 1.652 -13.528 276 HA LEU 41 HA LEU 41 -3.443 -1.105 -13.422 277 HB2 LEU 41 1HB LEU 41 -4.034 1.259 -11.688 278 HB3 LEU 41 2HB LEU 41 -4.806 -0.292 -11.366 279 HG LEU 41 HG LEU 41 -1.828 -0.138 -11.589 280 HD11 LEU 41 1HD1 LEU 41 -2.415 0.008 -8.878 281 HD12 LEU 41 2HD1 LEU 41 -3.430 1.243 -9.623 282 HD13 LEU 41 3HD1 LEU 41 -1.684 1.267 -9.875 283 HD21 LEU 41 1HD2 LEU 41 -1.962 -2.003 -10.017 284 HD22 LEU 41 2HD2 LEU 41 -2.912 -2.321 -11.469 285 HD23 LEU 41 3HD2 LEU 41 -3.718 -1.846 -9.973 286 HA PRO 42 HA PRO 42 -7.453 -1.296 -15.200 287 HB2 PRO 42 1HB PRO 42 -8.614 -3.216 -13.671 288 HB3 PRO 42 2HB PRO 42 -7.361 -3.568 -14.867 289 HG2 PRO 42 1HG PRO 42 -7.113 -3.256 -11.900 290 HG3 PRO 42 2HG PRO 42 -6.368 -4.462 -12.964 291 HD2 PRO 42 1HD PRO 42 -5.024 -2.295 -12.053 292 HD3 PRO 42 2HD PRO 42 -4.702 -3.020 -13.641 293 H ASP 43 H ASP 43 -9.522 -0.513 -14.967 294 HA ASP 43 HA ASP 43 -10.004 1.266 -12.798 295 HB2 ASP 43 1HB ASP 43 -10.834 1.354 -15.282 296 HB3 ASP 43 2HB ASP 43 -12.173 0.387 -14.670 297 H ASN 44 H ASN 44 -10.840 -2.028 -13.456 298 HA ASN 44 HA ASN 44 -12.784 -2.066 -11.265 299 HB2 ASN 44 1HB ASN 44 -13.160 -4.451 -12.070 300 HB3 ASN 44 2HB ASN 44 -13.623 -3.174 -13.190 301 HD21 ASN 44 1HD2 ASN 44 -13.017 -3.472 -15.198 302 HD22 ASN 44 2HD2 ASN 44 -11.660 -4.401 -15.730 303 H TRP 45 H TRP 45 -9.932 -1.737 -10.784 304 HA TRP 45 HA TRP 45 -8.753 -4.159 -9.936 305 HB2 TRP 45 1HB TRP 45 -7.503 -2.045 -10.355 306 HB3 TRP 45 2HB TRP 45 -8.214 -1.372 -8.890 307 HD1 TRP 45 HD TRP 45 -5.397 -3.554 -10.089 308 HE1 TRP 45 1HE TRP 45 -3.982 -4.319 -8.079 309 HE3 TRP 45 3HE TRP 45 -8.478 -2.035 -6.302 310 HZ2 TRP 45 2HZ TRP 45 -4.150 -4.283 -5.262 311 HZ3 TRP 45 3HZ TRP 45 -7.777 -2.438 -3.978 312 HH2 TRP 45 HH TRP 45 -5.658 -3.539 -3.471 313 H SER 46 H SER 46 -8.630 -5.132 -7.931 314 HA SER 46 HA SER 46 -10.293 -4.037 -5.779 315 HB2 SER 46 1HB SER 46 -11.048 -6.490 -5.389 316 HB3 SER 46 2HB SER 46 -11.831 -5.563 -6.669 317 HG SER 46 HG SER 46 -10.939 -7.821 -7.089 318 H CYS 47 H CYS 47 -10.021 -5.587 -3.771 319 HA CYS 47 HA CYS 47 -7.364 -5.384 -2.932 320 HB2 CYS 47 1HB CYS 47 -9.471 -7.229 -1.792 321 HB3 CYS 47 2HB CYS 47 -8.047 -6.614 -0.960 322 H ASP 48 H ASP 48 -9.080 -7.981 -4.509 323 HA ASP 48 HA ASP 48 -7.270 -10.071 -3.962 324 HB2 ASP 48 1HB ASP 48 -9.525 -10.490 -4.816 325 HB3 ASP 48 2HB ASP 48 -9.113 -9.692 -6.331 326 H GLN 49 H GLN 49 -7.022 -7.332 -5.973 327 HA GLN 49 HA GLN 49 -4.898 -8.543 -7.590 328 HB2 GLN 49 1HB GLN 49 -6.435 -5.961 -7.854 329 HB3 GLN 49 2HB GLN 49 -5.024 -6.332 -8.836 330 HG2 GLN 49 1HG GLN 49 -6.124 -8.231 -9.802 331 HG3 GLN 49 2HG GLN 49 -7.501 -8.034 -8.719 332 HE21 GLN 49 1HE2 GLN 49 -9.192 -7.240 -9.720 333 HE22 GLN 49 2HE2 GLN 49 -9.177 -6.053 -10.975 334 H ASN 50 H ASN 50 -4.575 -7.905 -4.751 335 HA ASN 50 HA ASN 50 -2.729 -5.639 -4.793 336 HB2 ASN 50 1HB ASN 50 -4.529 -6.197 -2.945 337 HB3 ASN 50 2HB ASN 50 -3.261 -7.255 -2.333 338 HD21 ASN 50 1HD2 ASN 50 -2.420 -6.278 -0.634 339 HD22 ASN 50 2HD2 ASN 50 -1.885 -4.636 -0.575 340 H THR 51 H THR 51 -0.599 -5.857 -3.810 341 HA THR 51 HA THR 51 0.636 -8.394 -4.576 342 HB THR 51 HB THR 51 2.756 -7.229 -4.530 343 HG1 THR 51 1HG THR 51 1.363 -4.877 -3.744 344 HG21 THR 51 1HG2 THR 51 2.411 -6.256 -6.522 345 HG22 THR 51 2HG2 THR 51 1.267 -5.092 -5.852 346 HG23 THR 51 3HG2 THR 51 0.721 -6.707 -6.304 347 H ASP 52 H ASP 52 -0.194 -6.553 -1.792 348 HA ASP 52 HA ASP 52 1.643 -8.013 -0.063 349 HB2 ASP 52 1HB ASP 52 1.070 -5.510 0.164 350 HB3 ASP 52 2HB ASP 52 -0.453 -6.058 0.859 351 H VAL 53 H VAL 53 1.059 -9.999 0.509 352 HA VAL 53 HA VAL 53 -1.481 -11.109 0.342 353 HB VAL 53 HB VAL 53 -0.662 -12.924 1.747 354 HG11 VAL 53 1HG1 VAL 53 0.849 -11.845 -0.517 355 HG12 VAL 53 2HG1 VAL 53 1.743 -13.005 0.468 356 HG13 VAL 53 3HG1 VAL 53 0.200 -13.463 -0.252 357 HG21 VAL 53 1HG2 VAL 53 0.559 -12.204 3.506 358 HG22 VAL 53 2HG2 VAL 53 1.909 -12.487 2.408 359 HG23 VAL 53 3HG2 VAL 53 1.261 -10.859 2.608 360 H GLN 54 H GLN 54 -0.081 -9.127 2.813 361 HA GLN 54 HA GLN 54 -1.799 -9.835 4.947 362 HB2 GLN 54 1HB GLN 54 -0.412 -7.191 4.477 363 HB3 GLN 54 2HB GLN 54 -1.032 -7.789 6.011 364 HG2 GLN 54 1HG GLN 54 0.621 -9.797 5.413 365 HG3 GLN 54 2HG GLN 54 1.437 -8.492 4.554 366 HE21 GLN 54 1HE2 GLN 54 1.747 -10.129 7.198 367 HE22 GLN 54 2HE2 GLN 54 2.225 -8.915 8.330 368 H TYR 55 H TYR 55 -2.229 -7.900 2.135 369 HA TYR 55 HA TYR 55 -4.964 -7.313 2.967 370 HB2 TYR 55 1HB TYR 55 -3.159 -5.171 1.831 371 HB3 TYR 55 2HB TYR 55 -4.834 -4.981 2.337 372 HD1 TYR 55 1HD TYR 55 -1.394 -5.587 3.549 373 HD2 TYR 55 2HD TYR 55 -5.389 -4.583 4.612 374 HE1 TYR 55 1HE TYR 55 -0.633 -4.977 5.808 375 HE2 TYR 55 2HE TYR 55 -4.640 -3.968 6.872 376 HH TYR 55 HH TYR 55 -2.726 -4.528 8.392 377 H ASN 56 H ASN 56 -4.453 -9.270 1.260 378 HA ASN 56 HA ASN 56 -4.870 -8.138 -1.426 379 HB2 ASN 56 1HB ASN 56 -3.835 -9.995 -2.367 380 HB3 ASN 56 2HB ASN 56 -2.902 -9.769 -0.891 381 HD21 ASN 56 1HD2 ASN 56 -3.382 -11.127 0.920 382 HD22 ASN 56 2HD2 ASN 56 -4.041 -12.704 0.666 383 H ARG 57 H ARG 57 -6.827 -8.670 0.822 384 HA ARG 57 HA ARG 57 -8.734 -10.211 -0.796 385 HB2 ARG 57 1HB ARG 57 -8.353 -10.460 2.193 386 HB3 ARG 57 2HB ARG 57 -9.645 -11.217 1.271 387 HG2 ARG 57 1HG ARG 57 -7.029 -11.837 0.191 388 HG3 ARG 57 2HG ARG 57 -7.193 -12.322 1.880 389 HD2 ARG 57 1HD ARG 57 -9.354 -13.433 1.244 390 HD3 ARG 57 2HD ARG 57 -8.944 -13.111 -0.440 391 HE ARG 57 HE ARG 57 -6.868 -14.493 0.967 392 HH11 ARG 57 1HH1 ARG 57 -9.876 -14.877 -0.742 393 HH12 ARG 57 2HH1 ARG 57 -9.560 -16.520 -1.194 394 HH21 ARG 57 1HH2 ARG 57 -6.441 -16.655 0.380 395 HH22 ARG 57 2HH2 ARG 57 -7.606 -17.530 -0.554 396 H CYS 58 H CYS 58 -10.973 -9.707 -0.381 397 HA CYS 58 HA CYS 58 -11.340 -6.894 0.186 398 HB2 CYS 58 1HB CYS 58 -13.112 -9.075 -0.884 399 HB3 CYS 58 2HB CYS 58 -13.783 -7.521 -0.399 400 H ASP 59 H ASP 59 -11.097 -9.477 2.122 401 HA ASP 59 HA ASP 59 -13.252 -8.662 3.943 402 HB2 ASP 59 1HB ASP 59 -12.811 -11.128 3.201 403 HB3 ASP 59 2HB ASP 59 -11.511 -11.064 4.388 404 H ILE 60 H ILE 60 -9.833 -8.645 3.520 405 HA ILE 60 HA ILE 60 -9.093 -8.332 6.249 406 HB ILE 60 HB ILE 60 -7.602 -7.512 3.754 407 HG12 ILE 60 1HG1 ILE 60 -7.078 -9.937 5.460 408 HG13 ILE 60 2HG1 ILE 60 -8.234 -9.985 4.133 409 HG21 ILE 60 1HG2 ILE 60 -7.077 -6.953 6.484 410 HG22 ILE 60 2HG2 ILE 60 -5.886 -8.129 5.931 411 HG23 ILE 60 3HG2 ILE 60 -6.075 -6.597 5.077 412 HD11 ILE 60 1HD1 ILE 60 -5.290 -9.867 4.084 413 HD12 ILE 60 2HD1 ILE 60 -6.419 -10.680 2.999 414 HD13 ILE 60 3HD1 ILE 60 -6.140 -8.946 2.843 415 HA PRO 61 HA PRO 61 -10.450 -4.132 6.742 416 HB2 PRO 61 1HB PRO 61 -9.357 -3.748 9.197 417 HB3 PRO 61 2HB PRO 61 -10.834 -4.685 8.939 418 HG2 PRO 61 1HG PRO 61 -8.025 -5.646 9.324 419 HG3 PRO 61 2HG PRO 61 -9.529 -6.276 10.021 420 HD2 PRO 61 1HD PRO 61 -8.310 -7.432 7.897 421 HD3 PRO 61 2HD PRO 61 -10.073 -7.443 8.109 422 H GLU 62 H GLU 62 -9.520 -2.018 6.963 423 HA GLU 62 HA GLU 62 -6.994 -1.767 5.666 424 HB2 GLU 62 1HB GLU 62 -8.678 0.358 7.006 425 HB3 GLU 62 2HB GLU 62 -7.344 0.647 5.898 426 HG2 GLU 62 1HG GLU 62 -8.540 -0.077 4.057 427 HG3 GLU 62 2HG GLU 62 -9.683 -0.996 5.035 428 H GLU 63 H GLU 63 -5.156 -0.562 6.491 429 HA GLU 63 HA GLU 63 -4.148 -1.562 8.875 430 HB2 GLU 63 1HB GLU 63 -3.376 0.633 7.026 431 HB3 GLU 63 2HB GLU 63 -2.640 0.637 8.622 432 HG2 GLU 63 1HG GLU 63 -2.626 -1.846 6.963 433 HG3 GLU 63 2HG GLU 63 -1.452 -0.565 6.669 434 H THR 64 H THR 64 -3.255 0.008 10.648 435 HA THR 64 HA THR 64 -5.371 0.818 12.240 436 HB THR 64 HB THR 64 -2.832 2.299 12.620 437 HG1 THR 64 1HG THR 64 -3.014 -0.526 12.523 438 HG21 THR 64 1HG2 THR 64 -3.138 1.484 14.928 439 HG22 THR 64 2HG2 THR 64 -4.545 0.560 14.400 440 HG23 THR 64 3HG2 THR 64 -4.567 2.322 14.325 441 H TRP 65 H TRP 65 -6.484 2.678 12.549 442 HA TRP 65 HA TRP 65 -6.464 4.626 10.462 443 HB2 TRP 65 1HB TRP 65 -8.436 3.793 11.969 444 HB3 TRP 65 2HB TRP 65 -7.880 5.050 13.071 445 HD1 TRP 65 HD TRP 65 -8.264 5.189 9.208 446 HE1 TRP 65 1HE TRP 65 -9.768 7.199 8.638 447 HE3 TRP 65 3HE TRP 65 -9.390 6.732 13.950 448 HZ2 TRP 65 2HZ TRP 65 -11.237 9.176 10.016 449 HZ3 TRP 65 3HZ TRP 65 -10.851 8.691 14.238 450 HH2 TRP 65 HH TRP 65 -11.753 9.887 12.310 451 H THR 66 H THR 66 -5.918 4.937 13.977 452 HA THR 66 HA THR 66 -4.652 7.515 13.590 453 HB THR 66 HB THR 66 -4.789 6.019 16.200 454 HG1 THR 66 1HG THR 66 -6.835 7.331 14.771 455 HG21 THR 66 1HG2 THR 66 -5.000 8.977 15.680 456 HG22 THR 66 2HG2 THR 66 -3.451 8.164 15.907 457 HG23 THR 66 3HG2 THR 66 -4.650 8.156 17.200 458 H GLY 67 H GLY 67 -2.621 7.506 12.847 459 HA2 GLY 67 1HA GLY 67 -0.800 5.346 13.503 460 HA3 GLY 67 2HA GLY 67 -0.473 6.700 12.432 461 H LEU 68 H LEU 68 -1.360 6.404 15.874 462 HA LEU 68 HA LEU 68 1.060 7.947 16.527 463 HB2 LEU 68 1HB LEU 68 -0.846 9.427 16.670 464 HB3 LEU 68 2HB LEU 68 -1.699 8.274 17.695 465 HG LEU 68 HG LEU 68 -0.107 8.659 19.491 466 HD11 LEU 68 1HD1 LEU 68 1.392 9.963 17.351 467 HD12 LEU 68 2HD1 LEU 68 1.955 9.247 18.861 468 HD13 LEU 68 3HD1 LEU 68 1.325 10.894 18.847 469 HD21 LEU 68 1HD2 LEU 68 -1.003 10.645 20.193 470 HD22 LEU 68 2HD2 LEU 68 -2.119 10.241 18.888 471 HD23 LEU 68 3HD2 LEU 68 -0.827 11.412 18.615 472 H GLU 69 H GLU 69 2.359 6.612 17.599 473 HA GLU 69 HA GLU 69 1.203 4.593 19.376 474 HB2 GLU 69 1HB GLU 69 3.298 3.462 19.273 475 HB3 GLU 69 2HB GLU 69 2.900 3.954 17.632 476 HG2 GLU 69 1HG GLU 69 4.373 5.971 18.023 477 HG3 GLU 69 2HG GLU 69 4.923 5.163 19.490 Start of MODEL 18 1 H1 GLY 1 H GLY 1 27.710 -5.010 4.760 2 HA2 GLY 1 1HA GLY 1 25.552 -5.606 2.885 3 HA3 GLY 1 2HA GLY 1 25.092 -4.862 4.409 4 H SER 2 H SER 2 27.170 -4.422 1.572 5 HA SER 2 HA SER 2 27.220 -1.537 2.078 6 HB2 SER 2 1HB SER 2 28.867 -3.381 0.372 7 HB3 SER 2 2HB SER 2 28.845 -1.649 0.041 8 HG SER 2 HG SER 2 29.972 -1.292 1.795 9 H SER 3 H SER 3 26.676 -3.753 -0.664 10 HA SER 3 HA SER 3 25.695 -1.928 -2.487 11 HB2 SER 3 1HB SER 3 24.243 -4.055 -3.199 12 HB3 SER 3 2HB SER 3 25.984 -3.979 -3.472 13 HG SER 3 HG SER 3 25.850 -5.824 -2.412 14 H GLY 4 H GLY 4 23.892 -0.756 -2.675 15 HA2 GLY 4 1HA GLY 4 21.607 -0.269 -2.490 16 HA3 GLY 4 2HA GLY 4 21.435 -1.611 -1.368 17 H SER 5 H SER 5 20.183 0.742 -0.821 18 HA SER 5 HA SER 5 21.567 1.564 1.611 19 HB2 SER 5 1HB SER 5 20.550 3.538 -0.448 20 HB3 SER 5 2HB SER 5 21.138 3.960 1.160 21 HG SER 5 HG SER 5 22.552 3.080 -1.086 22 H SER 6 H SER 6 20.209 2.205 3.265 23 HA SER 6 HA SER 6 18.295 2.302 4.492 24 HB2 SER 6 1HB SER 6 17.764 4.133 2.864 25 HB3 SER 6 2HB SER 6 16.917 2.945 1.875 26 HG SER 6 HG SER 6 15.516 4.090 3.302 27 H GLY 7 H GLY 7 19.146 -0.213 3.409 28 HA2 GLY 7 1HA GLY 7 16.915 -1.675 2.402 29 HA3 GLY 7 2HA GLY 7 18.401 -2.360 3.042 30 H GLU 8 H GLU 8 15.137 -1.417 3.742 31 HA GLU 8 HA GLU 8 15.407 -2.309 6.520 32 HB2 GLU 8 1HB GLU 8 14.171 -0.132 5.675 33 HB3 GLU 8 2HB GLU 8 12.845 -1.254 5.404 34 HG2 GLU 8 1HG GLU 8 12.624 -1.740 7.660 35 HG3 GLU 8 2HG GLU 8 14.244 -1.160 8.043 36 H ILE 9 H ILE 9 14.356 -4.072 7.323 37 HA ILE 9 HA ILE 9 13.205 -5.890 5.336 38 HB ILE 9 HB ILE 9 14.011 -6.507 8.179 39 HG12 ILE 9 1HG1 ILE 9 15.541 -7.021 5.619 40 HG13 ILE 9 2HG1 ILE 9 15.925 -5.756 6.781 41 HG21 ILE 9 1HG2 ILE 9 12.538 -7.961 6.243 42 HG22 ILE 9 2HG2 ILE 9 14.104 -8.747 6.436 43 HG23 ILE 9 3HG2 ILE 9 13.070 -8.486 7.840 44 HD11 ILE 9 1HD1 ILE 9 16.552 -7.327 8.423 45 HD12 ILE 9 2HD1 ILE 9 15.861 -8.667 7.507 46 HD13 ILE 9 3HD1 ILE 9 17.308 -7.849 6.917 47 H SER 10 H SER 10 11.073 -5.911 5.147 48 HA SER 10 HA SER 10 8.851 -5.874 5.635 49 HB2 SER 10 1HB SER 10 9.544 -6.417 8.517 50 HB3 SER 10 2HB SER 10 8.120 -6.932 7.614 51 HG SER 10 HG SER 10 9.672 -8.617 7.923 52 H GLY 11 H GLY 11 10.420 -3.437 5.816 53 HA2 GLY 11 1HA GLY 11 8.940 -1.961 7.896 54 HA3 GLY 11 2HA GLY 11 10.450 -1.433 7.169 55 H PHE 12 H PHE 12 8.759 0.490 7.165 56 HA PHE 12 HA PHE 12 6.742 0.601 5.242 57 HB2 PHE 12 1HB PHE 12 6.874 3.004 5.443 58 HB3 PHE 12 2HB PHE 12 7.125 2.294 7.034 59 HD1 PHE 12 1HD PHE 12 8.737 4.012 4.220 60 HD2 PHE 12 2HD PHE 12 9.214 2.508 8.173 61 HE1 PHE 12 1HE PHE 12 10.846 5.261 4.437 62 HE2 PHE 12 2HE PHE 12 11.323 3.755 8.397 63 HZ PHE 12 HZ PHE 12 12.141 5.134 6.528 64 H GLY 13 H GLY 13 6.669 1.326 3.114 65 HA2 GLY 13 1HA GLY 13 9.150 0.919 1.635 66 HA3 GLY 13 2HA GLY 13 7.534 1.013 0.952 67 H GLN 14 H GLN 14 9.947 2.367 0.070 68 HA GLN 14 HA GLN 14 9.800 5.110 0.851 69 HB2 GLN 14 1HB GLN 14 11.379 5.503 -0.978 70 HB3 GLN 14 2HB GLN 14 11.878 4.134 0.006 71 HG2 GLN 14 1HG GLN 14 11.067 2.588 -1.655 72 HG3 GLN 14 2HG GLN 14 10.427 3.916 -2.620 73 HE21 GLN 14 1HE2 GLN 14 12.810 1.770 -2.541 74 HE22 GLN 14 2HE2 GLN 14 14.072 2.654 -3.323 75 H CYS 15 H CYS 15 8.237 3.151 -1.545 76 HA CYS 15 HA CYS 15 7.291 5.414 -3.081 77 HB2 CYS 15 1HB CYS 15 6.922 2.439 -3.261 78 HB3 CYS 15 2HB CYS 15 5.893 3.522 -4.190 79 HG CYS 15 HG CYS 15 8.607 4.742 -5.011 80 H LEU 16 H LEU 16 5.505 6.529 -2.669 81 HA LEU 16 HA LEU 16 3.623 5.472 -0.682 82 HB2 LEU 16 1HB LEU 16 4.802 7.762 -0.495 83 HB3 LEU 16 2HB LEU 16 3.642 8.285 -1.714 84 HG LEU 16 HG LEU 16 2.686 7.013 0.821 85 HD11 LEU 16 1HD1 LEU 16 2.559 9.836 1.047 86 HD12 LEU 16 2HD1 LEU 16 4.231 9.389 0.714 87 HD13 LEU 16 3HD1 LEU 16 3.389 8.683 2.093 88 HD21 LEU 16 1HD2 LEU 16 0.876 7.302 -0.536 89 HD22 LEU 16 2HD2 LEU 16 1.578 8.689 -1.369 90 HD23 LEU 16 3HD2 LEU 16 0.903 8.880 0.250 91 H VAL 17 H VAL 17 2.669 4.061 -2.311 92 HA VAL 17 HA VAL 17 0.729 5.512 -3.988 93 HB VAL 17 HB VAL 17 0.827 3.675 -5.622 94 HG11 VAL 17 1HG1 VAL 17 2.220 5.719 -5.867 95 HG12 VAL 17 2HG1 VAL 17 3.559 4.847 -5.119 96 HG13 VAL 17 3HG1 VAL 17 2.900 4.300 -6.661 97 HG21 VAL 17 1HG2 VAL 17 1.521 1.798 -4.413 98 HG22 VAL 17 2HG2 VAL 17 2.900 2.174 -5.447 99 HG23 VAL 17 3HG2 VAL 17 2.924 2.633 -3.744 100 H TRP 18 H TRP 18 -1.341 4.991 -3.671 101 HA TRP 18 HA TRP 18 -1.964 2.452 -2.322 102 HB2 TRP 18 1HB TRP 18 -3.192 5.147 -1.702 103 HB3 TRP 18 2HB TRP 18 -3.701 3.611 -1.007 104 HD1 TRP 18 HD TRP 18 -0.537 5.852 -1.102 105 HE1 TRP 18 1HE TRP 18 0.718 5.544 1.124 106 HE3 TRP 18 3HE TRP 18 -3.486 2.243 0.999 107 HZ2 TRP 18 2HZ TRP 18 0.488 3.978 3.461 108 HZ3 TRP 18 3HZ TRP 18 -2.900 1.393 3.232 109 HH2 TRP 18 HH TRP 18 -0.954 2.244 4.436 110 H VAL 19 H VAL 19 -3.804 1.410 -2.988 111 HA VAL 19 HA VAL 19 -5.282 2.665 -5.211 112 HB VAL 19 HB VAL 19 -5.667 0.300 -6.028 113 HG11 VAL 19 1HG1 VAL 19 -3.774 0.343 -7.371 114 HG12 VAL 19 2HG1 VAL 19 -3.924 2.024 -6.854 115 HG13 VAL 19 3HG1 VAL 19 -2.748 0.963 -6.078 116 HG21 VAL 19 1HG2 VAL 19 -3.444 -0.265 -4.070 117 HG22 VAL 19 2HG2 VAL 19 -5.084 -0.913 -4.022 118 HG23 VAL 19 3HG2 VAL 19 -3.990 -1.378 -5.325 119 H GLN 20 H GLN 20 -7.440 2.733 -5.050 120 HA GLN 20 HA GLN 20 -8.665 1.595 -2.660 121 HB2 GLN 20 1HB GLN 20 -8.963 4.027 -3.457 122 HB3 GLN 20 2HB GLN 20 -10.046 3.356 -4.669 123 HG2 GLN 20 1HG GLN 20 -11.217 2.243 -2.646 124 HG3 GLN 20 2HG GLN 20 -10.364 3.463 -1.703 125 HE21 GLN 20 1HE2 GLN 20 -12.275 4.470 -1.097 126 HE22 GLN 20 2HE2 GLN 20 -13.206 5.421 -2.198 127 H CYS 21 H CYS 21 -10.031 -0.082 -2.674 128 HA CYS 21 HA CYS 21 -10.235 -1.850 -4.780 129 HB2 CYS 21 1HB CYS 21 -10.831 -2.213 -2.321 130 HB3 CYS 21 2HB CYS 21 -12.406 -1.530 -2.712 131 H SER 22 H SER 22 -12.065 -2.466 -6.105 132 HA SER 22 HA SER 22 -13.322 -0.144 -7.291 133 HB2 SER 22 1HB SER 22 -12.585 -1.590 -8.953 134 HB3 SER 22 2HB SER 22 -13.044 -3.032 -8.046 135 HG SER 22 HG SER 22 -14.645 -1.302 -9.577 136 H PHE 23 H PHE 23 -14.190 -2.795 -5.226 137 HA PHE 23 HA PHE 23 -17.018 -2.582 -5.609 138 HB2 PHE 23 1HB PHE 23 -15.399 -3.890 -3.414 139 HB3 PHE 23 2HB PHE 23 -17.144 -4.039 -3.591 140 HD1 PHE 23 1HD PHE 23 -17.876 -4.782 -6.061 141 HD2 PHE 23 2HD PHE 23 -14.123 -5.603 -4.228 142 HE1 PHE 23 1HE PHE 23 -17.560 -6.697 -7.573 143 HE2 PHE 23 2HE PHE 23 -13.801 -7.519 -5.738 144 HZ PHE 23 HZ PHE 23 -15.520 -8.068 -7.414 145 HA PRO 24 HA PRO 24 -17.886 0.859 -3.009 146 HB2 PRO 24 1HB PRO 24 -20.463 0.288 -2.373 147 HB3 PRO 24 2HB PRO 24 -19.973 0.867 -3.969 148 HG2 PRO 24 1HG PRO 24 -20.546 -1.927 -3.062 149 HG3 PRO 24 2HG PRO 24 -21.028 -1.118 -4.564 150 HD2 PRO 24 1HD PRO 24 -18.938 -2.835 -4.440 151 HD3 PRO 24 2HD PRO 24 -18.972 -1.450 -5.551 152 H ASN 25 H ASN 25 -19.133 -2.248 -1.768 153 HA ASN 25 HA ASN 25 -19.299 -1.538 0.916 154 HB2 ASN 25 1HB ASN 25 -18.556 -4.289 -0.086 155 HB3 ASN 25 2HB ASN 25 -19.406 -3.881 1.401 156 HD21 ASN 25 1HD2 ASN 25 -21.249 -2.073 0.512 157 HD22 ASN 25 2HD2 ASN 25 -22.352 -2.849 -0.567 158 H CYS 26 H CYS 26 -16.541 -2.276 -1.031 159 HA CYS 26 HA CYS 26 -14.796 -2.719 1.245 160 HB2 CYS 26 1HB CYS 26 -14.670 -3.156 -1.623 161 HB3 CYS 26 2HB CYS 26 -13.208 -2.377 -1.026 162 H GLY 27 H GLY 27 -14.307 -0.589 -1.561 163 HA2 GLY 27 1HA GLY 27 -13.389 1.514 -1.697 164 HA3 GLY 27 2HA GLY 27 -14.426 1.873 -0.325 165 H LYS 28 H LYS 28 -11.890 -0.513 -0.135 166 HA LYS 28 HA LYS 28 -10.562 1.122 1.890 167 HB2 LYS 28 1HB LYS 28 -10.190 -1.780 1.125 168 HB3 LYS 28 2HB LYS 28 -9.335 -0.967 2.429 169 HG2 LYS 28 1HG LYS 28 -11.477 -0.552 3.554 170 HG3 LYS 28 2HG LYS 28 -12.308 -1.418 2.260 171 HD2 LYS 28 1HD LYS 28 -11.129 -3.455 2.815 172 HD3 LYS 28 2HD LYS 28 -10.170 -2.605 4.030 173 HE2 LYS 28 1HE LYS 28 -12.000 -3.892 5.038 174 HE3 LYS 28 2HE LYS 28 -12.171 -2.163 5.332 175 HZ1 LYS 28 1HZ LYS 28 -13.920 -2.001 3.841 176 HZ2 LYS 28 2HZ LYS 28 -14.222 -3.479 4.605 177 HZ3 LYS 28 3HZ LYS 28 -13.539 -3.451 3.057 178 H TRP 29 H TRP 29 -8.389 1.670 1.816 179 HA TRP 29 HA TRP 29 -7.244 1.717 -0.872 180 HB2 TRP 29 1HB TRP 29 -6.684 3.262 1.652 181 HB3 TRP 29 2HB TRP 29 -5.570 3.295 0.287 182 HD1 TRP 29 HD TRP 29 -8.837 4.733 1.497 183 HE1 TRP 29 1HE TRP 29 -9.725 6.419 -0.233 184 HE3 TRP 29 3HE TRP 29 -5.615 3.728 -2.343 185 HZ2 TRP 29 2HZ TRP 29 -9.137 7.218 -2.875 186 HZ3 TRP 29 3HZ TRP 29 -5.845 4.998 -4.438 187 HH2 TRP 29 HH TRP 29 -7.571 6.705 -4.697 188 H ARG 30 H ARG 30 -6.257 -0.207 -1.235 189 HA ARG 30 HA ARG 30 -4.675 -1.515 0.780 190 HB2 ARG 30 1HB ARG 30 -4.897 -2.115 -2.175 191 HB3 ARG 30 2HB ARG 30 -4.211 -3.173 -0.949 192 HG2 ARG 30 1HG ARG 30 -7.054 -2.238 -0.797 193 HG3 ARG 30 2HG ARG 30 -6.587 -3.647 -1.752 194 HD2 ARG 30 1HD ARG 30 -6.994 -4.735 0.186 195 HD3 ARG 30 2HD ARG 30 -5.343 -4.234 0.550 196 HE ARG 30 HE ARG 30 -6.788 -2.166 1.476 197 HH11 ARG 30 1HH1 ARG 30 -7.065 -5.607 1.924 198 HH12 ARG 30 2HH1 ARG 30 -7.747 -5.477 3.512 199 HH21 ARG 30 1HH2 ARG 30 -7.685 -1.981 3.565 200 HH22 ARG 30 2HH2 ARG 30 -8.100 -3.414 4.444 201 H ARG 31 H ARG 31 -2.402 -2.110 0.424 202 HA ARG 31 HA ARG 31 -0.918 0.172 -0.670 203 HB2 ARG 31 1HB ARG 31 -0.576 -0.448 1.722 204 HB3 ARG 31 2HB ARG 31 0.056 -2.001 1.192 205 HG2 ARG 31 1HG ARG 31 2.011 -1.098 0.410 206 HG3 ARG 31 2HG ARG 31 1.291 0.489 0.129 207 HD2 ARG 31 1HD ARG 31 1.976 1.194 2.120 208 HD3 ARG 31 2HD ARG 31 1.139 -0.140 2.913 209 HE ARG 31 HE ARG 31 3.943 0.075 2.412 210 HH11 ARG 31 1HH1 ARG 31 1.309 -2.174 2.765 211 HH12 ARG 31 2HH1 ARG 31 2.323 -3.483 3.273 212 HH21 ARG 31 1HH2 ARG 31 5.289 -1.642 3.080 213 HH22 ARG 31 2HH2 ARG 31 4.587 -3.179 3.453 214 H LEU 32 H LEU 32 0.378 -0.030 -2.389 215 HA LEU 32 HA LEU 32 0.783 -2.732 -3.485 216 HB2 LEU 32 1HB LEU 32 0.366 -0.060 -4.738 217 HB3 LEU 32 2HB LEU 32 1.308 -1.271 -5.605 218 HG LEU 32 HG LEU 32 -1.550 -1.590 -4.690 219 HD11 LEU 32 1HD1 LEU 32 -0.892 0.004 -6.660 220 HD12 LEU 32 2HD1 LEU 32 -2.247 -1.113 -6.823 221 HD13 LEU 32 3HD1 LEU 32 -0.686 -1.510 -7.541 222 HD21 LEU 32 1HD2 LEU 32 -0.764 -3.752 -4.717 223 HD22 LEU 32 2HD2 LEU 32 0.419 -3.423 -5.983 224 HD23 LEU 32 3HD2 LEU 32 -1.292 -3.558 -6.389 225 H CYS 33 H CYS 33 2.808 -3.250 -4.435 226 HA CYS 33 HA CYS 33 5.043 -2.451 -2.954 227 HB2 CYS 33 1HB CYS 33 6.363 -3.655 -4.698 228 HB3 CYS 33 2HB CYS 33 5.019 -4.593 -4.058 229 HG CYS 33 HG CYS 33 3.847 -3.026 -6.633 230 H GLY 34 H GLY 34 7.144 -1.833 -4.404 231 HA2 GLY 34 1HA GLY 34 6.517 0.859 -5.363 232 HA3 GLY 34 2HA GLY 34 8.108 0.261 -4.918 233 H ASN 35 H ASN 35 6.156 -1.721 -6.953 234 HA ASN 35 HA ASN 35 7.715 -0.853 -9.297 235 HB2 ASN 35 1HB ASN 35 6.998 -3.678 -8.482 236 HB3 ASN 35 2HB ASN 35 7.716 -3.241 -10.030 237 HD21 ASN 35 1HD2 ASN 35 8.227 -3.070 -6.544 238 HD22 ASN 35 2HD2 ASN 35 9.952 -3.141 -6.614 239 H ILE 36 H ILE 36 4.961 -0.208 -8.342 240 HA ILE 36 HA ILE 36 3.587 -0.880 -10.840 241 HB ILE 36 HB ILE 36 2.314 -1.145 -8.113 242 HG12 ILE 36 1HG1 ILE 36 2.807 -3.270 -10.206 243 HG13 ILE 36 2HG1 ILE 36 3.849 -3.008 -8.811 244 HG21 ILE 36 1HG2 ILE 36 1.217 -0.857 -10.813 245 HG22 ILE 36 2HG2 ILE 36 0.568 -2.220 -9.904 246 HG23 ILE 36 3HG2 ILE 36 0.459 -0.589 -9.243 247 HD11 ILE 36 1HD1 ILE 36 2.368 -4.830 -8.357 248 HD12 ILE 36 2HD1 ILE 36 1.907 -3.461 -7.345 249 HD13 ILE 36 3HD1 ILE 36 0.963 -3.852 -8.782 250 H ASP 37 H ASP 37 2.214 0.691 -11.605 251 HA ASP 37 HA ASP 37 2.112 3.189 -10.043 252 HB2 ASP 37 1HB ASP 37 3.105 2.694 -12.697 253 HB3 ASP 37 2HB ASP 37 1.738 3.803 -12.773 254 HA PRO 38 HA PRO 38 -2.270 3.050 -10.289 255 HB2 PRO 38 1HB PRO 38 -2.850 5.702 -10.239 256 HB3 PRO 38 2HB PRO 38 -2.275 4.818 -8.821 257 HG2 PRO 38 1HG PRO 38 -0.747 6.564 -10.712 258 HG3 PRO 38 2HG PRO 38 -0.657 6.484 -8.943 259 HD2 PRO 38 1HD PRO 38 1.160 5.280 -10.549 260 HD3 PRO 38 2HD PRO 38 0.693 4.616 -8.970 261 H SER 39 H SER 39 -0.493 4.999 -12.604 262 HA SER 39 HA SER 39 -2.712 5.470 -14.343 263 HB2 SER 39 1HB SER 39 -0.948 7.036 -14.513 264 HB3 SER 39 2HB SER 39 0.272 5.771 -14.648 265 HG SER 39 HG SER 39 0.039 6.040 -16.714 266 H VAL 40 H VAL 40 -0.427 2.907 -13.913 267 HA VAL 40 HA VAL 40 -1.227 1.664 -16.448 268 HB VAL 40 HB VAL 40 0.612 0.084 -16.072 269 HG11 VAL 40 1HG1 VAL 40 2.293 2.321 -15.702 270 HG12 VAL 40 2HG1 VAL 40 1.808 1.561 -17.219 271 HG13 VAL 40 3HG1 VAL 40 0.856 2.888 -16.552 272 HG21 VAL 40 1HG2 VAL 40 1.090 1.692 -13.566 273 HG22 VAL 40 2HG2 VAL 40 0.620 -0.005 -13.661 274 HG23 VAL 40 3HG2 VAL 40 2.211 0.502 -14.228 275 H LEU 41 H LEU 41 -2.926 1.831 -14.021 276 HA LEU 41 HA LEU 41 -3.212 -1.045 -13.454 277 HB2 LEU 41 1HB LEU 41 -3.721 1.397 -11.818 278 HB3 LEU 41 2HB LEU 41 -4.665 -0.060 -11.511 279 HG LEU 41 HG LEU 41 -1.658 -0.063 -11.480 280 HD11 LEU 41 1HD1 LEU 41 -1.715 1.193 -9.647 281 HD12 LEU 41 2HD1 LEU 41 -2.524 -0.157 -8.852 282 HD13 LEU 41 3HD1 LEU 41 -3.477 1.139 -9.575 283 HD21 LEU 41 1HD2 LEU 41 -3.001 -2.198 -11.680 284 HD22 LEU 41 2HD2 LEU 41 -3.605 -1.861 -10.057 285 HD23 LEU 41 3HD2 LEU 41 -1.878 -2.109 -10.323 286 HA PRO 42 HA PRO 42 -7.128 -1.107 -15.437 287 HB2 PRO 42 1HB PRO 42 -8.453 -2.930 -13.923 288 HB3 PRO 42 2HB PRO 42 -7.158 -3.370 -15.042 289 HG2 PRO 42 1HG PRO 42 -7.048 -2.987 -12.075 290 HG3 PRO 42 2HG PRO 42 -6.305 -4.255 -13.068 291 HD2 PRO 42 1HD PRO 42 -4.912 -2.125 -12.143 292 HD3 PRO 42 2HD PRO 42 -4.542 -2.908 -13.693 293 H ASP 43 H ASP 43 -9.535 -0.966 -14.958 294 HA ASP 43 HA ASP 43 -9.947 1.177 -13.020 295 HB2 ASP 43 1HB ASP 43 -10.838 1.762 -15.113 296 HB3 ASP 43 2HB ASP 43 -11.518 0.158 -15.373 297 H ASN 44 H ASN 44 -10.763 -2.150 -13.571 298 HA ASN 44 HA ASN 44 -12.697 -2.115 -11.368 299 HB2 ASN 44 1HB ASN 44 -13.218 -4.443 -12.110 300 HB3 ASN 44 2HB ASN 44 -13.497 -3.230 -13.356 301 HD21 ASN 44 1HD2 ASN 44 -13.285 -4.616 -15.062 302 HD22 ASN 44 2HD2 ASN 44 -11.785 -5.349 -15.506 303 H TRP 45 H TRP 45 -9.939 -1.751 -10.781 304 HA TRP 45 HA TRP 45 -8.718 -4.178 -9.958 305 HB2 TRP 45 1HB TRP 45 -7.491 -2.044 -10.370 306 HB3 TRP 45 2HB TRP 45 -8.210 -1.390 -8.901 307 HD1 TRP 45 HD TRP 45 -5.384 -3.561 -10.113 308 HE1 TRP 45 1HE TRP 45 -3.959 -4.317 -8.108 309 HE3 TRP 45 3HE TRP 45 -8.452 -2.039 -6.318 310 HZ2 TRP 45 2HZ TRP 45 -4.115 -4.274 -5.289 311 HZ3 TRP 45 3HZ TRP 45 -7.741 -2.434 -3.996 312 HH2 TRP 45 HH TRP 45 -5.617 -3.529 -3.494 313 H SER 46 H SER 46 -8.580 -5.127 -7.935 314 HA SER 46 HA SER 46 -10.272 -4.047 -5.802 315 HB2 SER 46 1HB SER 46 -11.028 -6.500 -5.418 316 HB3 SER 46 2HB SER 46 -11.805 -5.573 -6.701 317 HG SER 46 HG SER 46 -10.948 -7.816 -7.149 318 H CYS 47 H CYS 47 -10.005 -5.571 -3.785 319 HA CYS 47 HA CYS 47 -7.354 -5.377 -2.936 320 HB2 CYS 47 1HB CYS 47 -9.470 -7.220 -1.806 321 HB3 CYS 47 2HB CYS 47 -8.048 -6.609 -0.967 322 H ASP 48 H ASP 48 -9.064 -7.978 -4.515 323 HA ASP 48 HA ASP 48 -7.257 -10.068 -3.958 324 HB2 ASP 48 1HB ASP 48 -9.498 -10.504 -4.819 325 HB3 ASP 48 2HB ASP 48 -9.100 -9.683 -6.326 326 H GLN 49 H GLN 49 -6.997 -7.330 -5.970 327 HA GLN 49 HA GLN 49 -4.861 -8.543 -7.570 328 HB2 GLN 49 1HB GLN 49 -6.403 -5.967 -7.855 329 HB3 GLN 49 2HB GLN 49 -4.984 -6.338 -8.826 330 HG2 GLN 49 1HG GLN 49 -6.071 -8.239 -9.798 331 HG3 GLN 49 2HG GLN 49 -7.452 -8.053 -8.718 332 HE21 GLN 49 1HE2 GLN 49 -9.148 -7.237 -9.691 333 HE22 GLN 49 2HE2 GLN 49 -9.138 -6.063 -10.959 334 H ASN 50 H ASN 50 -4.553 -7.899 -4.734 335 HA ASN 50 HA ASN 50 -2.715 -5.626 -4.772 336 HB2 ASN 50 1HB ASN 50 -4.526 -6.176 -2.935 337 HB3 ASN 50 2HB ASN 50 -3.264 -7.233 -2.309 338 HD21 ASN 50 1HD2 ASN 50 -2.424 -6.255 -0.612 339 HD22 ASN 50 2HD2 ASN 50 -1.890 -4.613 -0.552 340 H THR 51 H THR 51 -0.586 -5.828 -3.808 341 HA THR 51 HA THR 51 0.658 -8.368 -4.544 342 HB THR 51 HB THR 51 2.797 -7.158 -4.378 343 HG1 THR 51 1HG THR 51 2.522 -5.575 -2.907 344 HG21 THR 51 1HG2 THR 51 0.587 -6.293 -6.139 345 HG22 THR 51 2HG2 THR 51 2.174 -6.945 -6.548 346 HG23 THR 51 3HG2 THR 51 2.005 -5.246 -6.103 347 H ASP 52 H ASP 52 -0.196 -6.523 -1.771 348 HA ASP 52 HA ASP 52 1.637 -7.968 -0.025 349 HB2 ASP 52 1HB ASP 52 1.134 -5.496 0.241 350 HB3 ASP 52 2HB ASP 52 -0.472 -5.968 0.791 351 H VAL 53 H VAL 53 1.063 -9.958 0.543 352 HA VAL 53 HA VAL 53 -1.471 -11.082 0.364 353 HB VAL 53 HB VAL 53 -0.648 -12.894 1.771 354 HG11 VAL 53 1HG1 VAL 53 1.767 -12.950 0.502 355 HG12 VAL 53 2HG1 VAL 53 0.231 -13.432 -0.221 356 HG13 VAL 53 3HG1 VAL 53 0.862 -11.807 -0.489 357 HG21 VAL 53 1HG2 VAL 53 1.480 -10.904 2.471 358 HG22 VAL 53 2HG2 VAL 53 0.481 -11.886 3.543 359 HG23 VAL 53 3HG2 VAL 53 1.775 -12.637 2.609 360 H GLN 54 H GLN 54 -0.092 -9.093 2.841 361 HA GLN 54 HA GLN 54 -1.818 -9.812 4.966 362 HB2 GLN 54 1HB GLN 54 -0.430 -7.166 4.506 363 HB3 GLN 54 2HB GLN 54 -1.064 -7.761 6.035 364 HG2 GLN 54 1HG GLN 54 0.593 -9.772 5.451 365 HG3 GLN 54 2HG GLN 54 1.420 -8.464 4.606 366 HE21 GLN 54 1HE2 GLN 54 1.734 -10.107 7.231 367 HE22 GLN 54 2HE2 GLN 54 2.185 -8.897 8.379 368 H TYR 55 H TYR 55 -2.243 -7.883 2.152 369 HA TYR 55 HA TYR 55 -4.981 -7.298 2.975 370 HB2 TYR 55 1HB TYR 55 -3.176 -5.155 1.840 371 HB3 TYR 55 2HB TYR 55 -4.853 -4.967 2.342 372 HD1 TYR 55 2HD TYR 55 -1.415 -5.569 3.565 373 HD2 TYR 55 1HD TYR 55 -5.414 -4.558 4.612 374 HE1 TYR 55 2HE TYR 55 -0.662 -4.953 5.824 375 HE2 TYR 55 1HE TYR 55 -4.671 -3.939 6.873 376 HH TYR 55 HH TYR 55 -2.055 -4.858 8.266 377 H ASN 56 H ASN 56 -4.466 -9.257 1.275 378 HA ASN 56 HA ASN 56 -4.871 -8.132 -1.416 379 HB2 ASN 56 1HB ASN 56 -3.839 -9.997 -2.347 380 HB3 ASN 56 2HB ASN 56 -2.910 -9.766 -0.869 381 HD21 ASN 56 1HD2 ASN 56 -3.392 -11.118 0.944 382 HD22 ASN 56 2HD2 ASN 56 -4.057 -12.693 0.697 383 H ARG 57 H ARG 57 -6.840 -8.647 0.822 384 HA ARG 57 HA ARG 57 -8.747 -10.183 -0.800 385 HB2 ARG 57 1HB ARG 57 -8.395 -10.433 2.193 386 HB3 ARG 57 2HB ARG 57 -9.663 -11.204 1.249 387 HG2 ARG 57 1HG ARG 57 -7.040 -11.807 0.194 388 HG3 ARG 57 2HG ARG 57 -7.187 -12.263 1.892 389 HD2 ARG 57 1HD ARG 57 -9.309 -13.443 1.312 390 HD3 ARG 57 2HD ARG 57 -8.972 -13.105 -0.385 391 HE ARG 57 HE ARG 57 -6.797 -14.426 0.913 392 HH11 ARG 57 1HH1 ARG 57 -9.897 -14.920 -0.593 393 HH12 ARG 57 2HH1 ARG 57 -9.564 -16.560 -1.040 394 HH21 ARG 57 1HH2 ARG 57 -6.347 -16.585 0.329 395 HH22 ARG 57 2HH2 ARG 57 -7.545 -17.507 -0.514 396 H CYS 58 H CYS 58 -10.988 -9.678 -0.377 397 HA CYS 58 HA CYS 58 -11.346 -6.862 0.184 398 HB2 CYS 58 1HB CYS 58 -13.133 -9.041 -0.872 399 HB3 CYS 58 2HB CYS 58 -13.789 -7.477 -0.401 400 H ASP 59 H ASP 59 -11.132 -9.467 2.112 401 HA ASP 59 HA ASP 59 -13.277 -8.640 3.936 402 HB2 ASP 59 1HB ASP 59 -12.815 -11.109 3.195 403 HB3 ASP 59 2HB ASP 59 -11.536 -11.034 4.403 404 H ILE 60 H ILE 60 -9.856 -8.623 3.517 405 HA ILE 60 HA ILE 60 -9.121 -8.300 6.246 406 HB ILE 60 HB ILE 60 -7.624 -7.486 3.752 407 HG12 ILE 60 1HG1 ILE 60 -7.107 -9.911 5.460 408 HG13 ILE 60 2HG1 ILE 60 -8.262 -9.958 4.132 409 HG21 ILE 60 1HG2 ILE 60 -5.918 -8.106 5.939 410 HG22 ILE 60 2HG2 ILE 60 -6.093 -6.580 5.074 411 HG23 ILE 60 3HG2 ILE 60 -7.105 -6.919 6.478 412 HD11 ILE 60 1HD1 ILE 60 -5.320 -9.856 4.087 413 HD12 ILE 60 2HD1 ILE 60 -6.451 -10.652 2.993 414 HD13 ILE 60 3HD1 ILE 60 -6.157 -8.919 2.851 415 HA PRO 61 HA PRO 61 -10.477 -4.097 6.721 416 HB2 PRO 61 1HB PRO 61 -9.384 -3.702 9.174 417 HB3 PRO 61 2HB PRO 61 -10.861 -4.640 8.920 418 HG2 PRO 61 1HG PRO 61 -8.052 -5.599 9.310 419 HG3 PRO 61 2HG PRO 61 -9.556 -6.227 10.009 420 HD2 PRO 61 1HD PRO 61 -8.337 -7.391 7.890 421 HD3 PRO 61 2HD PRO 61 -10.099 -7.402 8.102 422 H GLU 62 H GLU 62 -9.536 -1.977 6.988 423 HA GLU 62 HA GLU 62 -7.009 -1.734 5.676 424 HB2 GLU 62 1HB GLU 62 -8.715 0.389 6.989 425 HB3 GLU 62 2HB GLU 62 -7.360 0.686 5.909 426 HG2 GLU 62 1HG GLU 62 -8.514 -0.123 4.046 427 HG3 GLU 62 2HG GLU 62 -9.729 -0.926 5.038 428 H GLU 63 H GLU 63 -5.247 -0.338 6.536 429 HA GLU 63 HA GLU 63 -4.174 -1.387 8.881 430 HB2 GLU 63 1HB GLU 63 -3.524 0.920 7.118 431 HB3 GLU 63 2HB GLU 63 -2.771 0.876 8.706 432 HG2 GLU 63 1HG GLU 63 -2.161 -1.568 8.032 433 HG3 GLU 63 2HG GLU 63 -2.429 -0.971 6.396 434 H THR 64 H THR 64 -4.234 -0.830 10.986 435 HA THR 64 HA THR 64 -6.317 0.899 11.890 436 HB THR 64 HB THR 64 -5.492 0.380 14.162 437 HG1 THR 64 1HG THR 64 -3.407 -0.025 14.221 438 HG21 THR 64 1HG2 THR 64 -6.546 -1.601 14.116 439 HG22 THR 64 2HG2 THR 64 -5.374 -2.297 12.997 440 HG23 THR 64 3HG2 THR 64 -6.709 -1.322 12.382 441 H TRP 65 H TRP 65 -5.942 2.629 13.518 442 HA TRP 65 HA TRP 65 -5.162 4.714 13.990 443 HB2 TRP 65 1HB TRP 65 -3.350 3.196 14.960 444 HB3 TRP 65 2HB TRP 65 -2.402 3.589 13.529 445 HD1 TRP 65 HD TRP 65 -4.201 5.536 16.373 446 HE1 TRP 65 1HE TRP 65 -2.760 7.588 16.955 447 HE3 TRP 65 3HE TRP 65 -0.503 4.942 12.894 448 HZ2 TRP 65 2HZ TRP 65 -0.371 8.795 16.056 449 HZ3 TRP 65 3HZ TRP 65 1.323 6.589 12.821 450 HH2 TRP 65 HH TRP 65 1.386 8.475 14.370 451 H THR 66 H THR 66 -5.859 4.247 11.283 452 HA THR 66 HA THR 66 -4.171 6.276 10.002 453 HB THR 66 HB THR 66 -5.140 3.810 8.548 454 HG1 THR 66 1HG THR 66 -3.225 2.931 8.938 455 HG21 THR 66 1HG2 THR 66 -4.534 6.242 7.506 456 HG22 THR 66 2HG2 THR 66 -4.327 4.716 6.647 457 HG23 THR 66 3HG2 THR 66 -2.955 5.459 7.469 458 H GLY 67 H GLY 67 -5.300 7.844 9.017 459 HA2 GLY 67 1HA GLY 67 -7.565 7.717 7.516 460 HA3 GLY 67 2HA GLY 67 -8.176 7.783 9.162 461 H LEU 68 H LEU 68 -5.483 9.415 7.495 462 HA LEU 68 HA LEU 68 -6.674 11.981 8.320 463 HB2 LEU 68 1HB LEU 68 -4.649 11.441 9.592 464 HB3 LEU 68 2HB LEU 68 -3.749 11.285 8.084 465 HG LEU 68 HG LEU 68 -4.400 13.750 7.695 466 HD11 LEU 68 1HD1 LEU 68 -5.410 13.269 10.402 467 HD12 LEU 68 2HD1 LEU 68 -5.834 14.520 9.235 468 HD13 LEU 68 3HD1 LEU 68 -4.396 14.702 10.239 469 HD21 LEU 68 1HD2 LEU 68 -2.447 14.504 8.907 470 HD22 LEU 68 2HD2 LEU 68 -2.130 12.928 8.182 471 HD23 LEU 68 3HD2 LEU 68 -2.474 13.052 9.908 472 H GLU 69 H GLU 69 -7.255 13.234 6.683 473 HA GLU 69 HA GLU 69 -5.773 13.023 4.148 474 HB2 GLU 69 1HB GLU 69 -8.747 13.120 4.598 475 HB3 GLU 69 2HB GLU 69 -8.034 13.610 3.068 476 HG2 GLU 69 1HG GLU 69 -6.858 11.259 3.260 477 HG3 GLU 69 2HG GLU 69 -8.249 10.914 4.286 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.755 -9.006 -23.876 2 HA2 GLY 1 1HA GLY 1 5.379 -6.869 -24.346 3 HA3 GLY 1 2HA GLY 1 3.768 -6.235 -24.649 4 H SER 2 H SER 2 3.578 -4.869 -22.939 5 HA SER 2 HA SER 2 3.342 -4.150 -20.790 6 HB2 SER 2 1HB SER 2 2.572 -6.933 -19.980 7 HB3 SER 2 2HB SER 2 1.871 -5.392 -19.483 8 HG SER 2 HG SER 2 1.705 -6.097 -22.179 9 H SER 3 H SER 3 5.952 -4.927 -21.464 10 HA SER 3 HA SER 3 6.919 -5.940 -18.871 11 HB2 SER 3 1HB SER 3 7.792 -6.617 -21.655 12 HB3 SER 3 2HB SER 3 8.978 -6.650 -20.351 13 HG SER 3 HG SER 3 8.009 -8.681 -20.586 14 H GLY 4 H GLY 4 8.568 -4.841 -17.900 15 HA2 GLY 4 1HA GLY 4 10.416 -3.137 -19.037 16 HA3 GLY 4 2HA GLY 4 9.003 -2.142 -18.719 17 H SER 5 H SER 5 11.892 -2.797 -17.520 18 HA SER 5 HA SER 5 10.995 -2.428 -14.741 19 HB2 SER 5 1HB SER 5 11.790 -4.696 -14.865 20 HB3 SER 5 2HB SER 5 13.244 -4.194 -15.728 21 HG SER 5 HG SER 5 12.622 -4.014 -13.023 22 H SER 6 H SER 6 11.829 -0.702 -13.761 23 HA SER 6 HA SER 6 14.345 0.432 -14.764 24 HB2 SER 6 1HB SER 6 13.304 2.727 -14.450 25 HB3 SER 6 2HB SER 6 12.701 1.799 -15.823 26 HG SER 6 HG SER 6 10.806 2.018 -14.970 27 H GLY 7 H GLY 7 15.355 1.953 -13.239 28 HA2 GLY 7 1HA GLY 7 14.734 1.178 -10.458 29 HA3 GLY 7 2HA GLY 7 16.341 1.580 -11.044 30 H GLU 8 H GLU 8 13.136 2.927 -10.398 31 HA GLU 8 HA GLU 8 14.024 5.644 -10.624 32 HB2 GLU 8 1HB GLU 8 11.495 4.267 -9.879 33 HB3 GLU 8 2HB GLU 8 11.716 5.914 -9.305 34 HG2 GLU 8 1HG GLU 8 12.203 5.312 -12.178 35 HG3 GLU 8 2HG GLU 8 10.545 5.427 -11.591 36 H ILE 9 H ILE 9 14.076 7.191 -8.893 37 HA ILE 9 HA ILE 9 14.966 5.986 -6.361 38 HB ILE 9 HB ILE 9 16.184 8.068 -5.948 39 HG12 ILE 9 1HG1 ILE 9 16.136 9.216 -8.566 40 HG13 ILE 9 2HG1 ILE 9 14.478 9.063 -7.995 41 HG21 ILE 9 1HG2 ILE 9 17.719 6.728 -6.898 42 HG22 ILE 9 2HG2 ILE 9 16.681 6.336 -8.267 43 HG23 ILE 9 3HG2 ILE 9 17.586 7.849 -8.252 44 HD11 ILE 9 1HD1 ILE 9 16.515 10.943 -7.238 45 HD12 ILE 9 2HD1 ILE 9 14.786 10.951 -6.886 46 HD13 ILE 9 3HD1 ILE 9 15.898 10.081 -5.829 47 H SER 10 H SER 10 12.201 6.320 -6.884 48 HA SER 10 HA SER 10 11.379 8.687 -5.402 49 HB2 SER 10 1HB SER 10 9.989 6.625 -7.053 50 HB3 SER 10 2HB SER 10 9.052 7.474 -5.824 51 HG SER 10 HG SER 10 9.013 9.137 -7.091 52 H GLY 11 H GLY 11 11.288 5.159 -5.088 53 HA2 GLY 11 1HA GLY 11 11.234 5.428 -2.198 54 HA3 GLY 11 2HA GLY 11 9.810 4.677 -2.903 55 H PHE 12 H PHE 12 12.824 4.111 -1.613 56 HA PHE 12 HA PHE 12 13.084 1.526 -2.993 57 HB2 PHE 12 1HB PHE 12 15.407 1.510 -2.303 58 HB3 PHE 12 2HB PHE 12 15.054 3.036 -3.107 59 HD1 PHE 12 2HD PHE 12 14.813 5.104 -1.776 60 HD2 PHE 12 1HD PHE 12 16.076 1.433 -0.032 61 HE1 PHE 12 2HE PHE 12 15.672 6.331 0.175 62 HE2 PHE 12 1HE PHE 12 16.936 2.654 1.923 63 HZ PHE 12 HZ PHE 12 16.736 5.107 2.028 64 H GLY 13 H GLY 13 12.585 3.073 0.076 65 HA2 GLY 13 1HA GLY 13 12.792 0.491 1.470 66 HA3 GLY 13 2HA GLY 13 12.764 2.071 2.241 67 H GLN 14 H GLN 14 10.630 3.326 1.629 68 HA GLN 14 HA GLN 14 8.432 1.495 2.290 69 HB2 GLN 14 1HB GLN 14 7.264 3.577 3.059 70 HB3 GLN 14 2HB GLN 14 8.721 3.181 3.961 71 HG2 GLN 14 1HG GLN 14 9.965 4.875 2.837 72 HG3 GLN 14 2HG GLN 14 8.642 5.173 1.711 73 HE21 GLN 14 1HE2 GLN 14 10.085 6.884 3.705 74 HE22 GLN 14 2HE2 GLN 14 8.830 7.600 4.653 75 H CYS 15 H CYS 15 6.322 1.901 1.353 76 HA CYS 15 HA CYS 15 6.559 2.766 -1.435 77 HB2 CYS 15 1HB CYS 15 4.532 1.488 -1.841 78 HB3 CYS 15 2HB CYS 15 5.704 0.486 -0.994 79 HG CYS 15 HG CYS 15 4.266 -0.044 1.085 80 H LEU 16 H LEU 16 5.249 4.316 -2.335 81 HA LEU 16 HA LEU 16 3.546 5.825 -0.462 82 HB2 LEU 16 1HB LEU 16 5.086 6.975 -2.780 83 HB3 LEU 16 2HB LEU 16 4.175 7.861 -1.560 84 HG LEU 16 HG LEU 16 6.682 6.272 -1.019 85 HD11 LEU 16 1HD1 LEU 16 7.826 8.384 -0.871 86 HD12 LEU 16 2HD1 LEU 16 6.335 9.259 -1.217 87 HD13 LEU 16 3HD1 LEU 16 7.070 8.245 -2.459 88 HD21 LEU 16 1HD2 LEU 16 4.679 7.534 0.669 89 HD22 LEU 16 2HD2 LEU 16 6.309 8.127 0.985 90 HD23 LEU 16 3HD2 LEU 16 5.963 6.401 1.089 91 H VAL 17 H VAL 17 2.847 3.650 -2.327 92 HA VAL 17 HA VAL 17 0.950 5.138 -4.024 93 HB VAL 17 HB VAL 17 0.986 3.267 -5.610 94 HG11 VAL 17 1HG1 VAL 17 3.347 3.601 -6.434 95 HG12 VAL 17 2HG1 VAL 17 2.418 5.075 -6.154 96 HG13 VAL 17 3HG1 VAL 17 3.630 4.559 -4.981 97 HG21 VAL 17 1HG2 VAL 17 2.860 1.598 -5.395 98 HG22 VAL 17 2HG2 VAL 17 3.070 2.161 -3.737 99 HG23 VAL 17 3HG2 VAL 17 1.549 1.416 -4.230 100 H TRP 18 H TRP 18 -1.148 4.703 -3.742 101 HA TRP 18 HA TRP 18 -1.911 2.220 -2.372 102 HB2 TRP 18 1HB TRP 18 -2.786 5.018 -1.642 103 HB3 TRP 18 2HB TRP 18 -3.628 3.570 -1.097 104 HD1 TRP 18 HD TRP 18 -0.012 4.990 -0.930 105 HE1 TRP 18 1HE TRP 18 0.978 4.351 1.358 106 HE3 TRP 18 3HE TRP 18 -3.924 2.264 0.913 107 HZ2 TRP 18 2HZ TRP 18 0.203 2.884 3.642 108 HZ3 TRP 18 3HZ TRP 18 -3.719 1.276 3.157 109 HH2 TRP 18 HH TRP 18 -1.697 1.580 4.491 110 H VAL 19 H VAL 19 -3.816 1.311 -3.037 111 HA VAL 19 HA VAL 19 -5.286 2.733 -5.160 112 HB VAL 19 HB VAL 19 -5.757 0.459 -6.139 113 HG11 VAL 19 1HG1 VAL 19 -3.908 2.167 -6.814 114 HG12 VAL 19 2HG1 VAL 19 -2.809 0.939 -6.183 115 HG13 VAL 19 3HG1 VAL 19 -3.903 0.546 -7.509 116 HG21 VAL 19 1HG2 VAL 19 -3.551 -0.349 -4.246 117 HG22 VAL 19 2HG2 VAL 19 -5.221 -0.917 -4.224 118 HG23 VAL 19 3HG2 VAL 19 -4.162 -1.343 -5.568 119 H GLN 20 H GLN 20 -7.483 2.671 -5.091 120 HA GLN 20 HA GLN 20 -8.667 1.532 -2.672 121 HB2 GLN 20 1HB GLN 20 -8.983 3.975 -3.447 122 HB3 GLN 20 2HB GLN 20 -10.092 3.305 -4.637 123 HG2 GLN 20 1HG GLN 20 -11.282 2.210 -2.673 124 HG3 GLN 20 2HG GLN 20 -10.326 3.281 -1.650 125 HE21 GLN 20 1HE2 GLN 20 -12.013 4.483 -0.896 126 HE22 GLN 20 2HE2 GLN 20 -12.950 5.542 -1.890 127 H CYS 21 H CYS 21 -10.062 -0.127 -2.690 128 HA CYS 21 HA CYS 21 -10.265 -1.887 -4.805 129 HB2 CYS 21 1HB CYS 21 -10.867 -2.260 -2.348 130 HB3 CYS 21 2HB CYS 21 -12.438 -1.568 -2.739 131 H SER 22 H SER 22 -12.044 -2.468 -6.180 132 HA SER 22 HA SER 22 -13.310 -0.142 -7.336 133 HB2 SER 22 1HB SER 22 -12.447 -1.678 -8.925 134 HB3 SER 22 2HB SER 22 -13.199 -3.054 -8.118 135 HG SER 22 HG SER 22 -15.012 -2.651 -9.119 136 H PHE 23 H PHE 23 -14.190 -2.810 -5.302 137 HA PHE 23 HA PHE 23 -17.014 -2.605 -5.706 138 HB2 PHE 23 1HB PHE 23 -15.418 -3.907 -3.491 139 HB3 PHE 23 2HB PHE 23 -17.158 -4.075 -3.704 140 HD1 PHE 23 1HD PHE 23 -17.787 -4.764 -6.248 141 HD2 PHE 23 2HD PHE 23 -14.149 -5.657 -4.227 142 HE1 PHE 23 1HE PHE 23 -17.419 -6.671 -7.760 143 HE2 PHE 23 2HE PHE 23 -13.774 -7.564 -5.736 144 HZ PHE 23 HZ PHE 23 -15.410 -8.073 -7.505 145 HA PRO 24 HA PRO 24 -17.916 0.827 -3.105 146 HB2 PRO 24 1HB PRO 24 -20.500 0.250 -2.501 147 HB3 PRO 24 2HB PRO 24 -19.992 0.836 -4.090 148 HG2 PRO 24 1HG PRO 24 -20.572 -1.962 -3.200 149 HG3 PRO 24 2HG PRO 24 -21.037 -1.148 -4.705 150 HD2 PRO 24 1HD PRO 24 -18.946 -2.862 -4.562 151 HD3 PRO 24 2HD PRO 24 -18.969 -1.474 -5.668 152 H ASN 25 H ASN 25 -19.173 -2.287 -1.891 153 HA ASN 25 HA ASN 25 -19.374 -1.588 0.793 154 HB2 ASN 25 1HB ASN 25 -18.790 -4.270 -0.476 155 HB3 ASN 25 2HB ASN 25 -19.174 -4.055 1.229 156 HD21 ASN 25 1HD2 ASN 25 -21.199 -2.466 1.412 157 HD22 ASN 25 2HD2 ASN 25 -22.562 -2.999 0.493 158 H CYS 26 H CYS 26 -16.588 -2.319 -1.121 159 HA CYS 26 HA CYS 26 -14.872 -2.755 1.178 160 HB2 CYS 26 1HB CYS 26 -14.705 -3.188 -1.690 161 HB3 CYS 26 2HB CYS 26 -13.252 -2.414 -1.066 162 H GLY 27 H GLY 27 -14.340 -0.631 -1.623 163 HA2 GLY 27 1HA GLY 27 -13.419 1.472 -1.749 164 HA3 GLY 27 2HA GLY 27 -14.488 1.836 -0.402 165 H LYS 28 H LYS 28 -11.949 -0.542 -0.147 166 HA LYS 28 HA LYS 28 -10.680 1.094 1.911 167 HB2 LYS 28 1HB LYS 28 -10.282 -1.801 1.135 168 HB3 LYS 28 2HB LYS 28 -9.432 -0.994 2.445 169 HG2 LYS 28 1HG LYS 28 -11.594 -0.573 3.551 170 HG3 LYS 28 2HG LYS 28 -12.400 -1.468 2.261 171 HD2 LYS 28 1HD LYS 28 -11.131 -3.470 2.846 172 HD3 LYS 28 2HD LYS 28 -10.293 -2.577 4.117 173 HE2 LYS 28 1HE LYS 28 -12.177 -3.993 4.930 174 HE3 LYS 28 2HE LYS 28 -12.323 -2.286 5.345 175 HZ1 LYS 28 1HZ LYS 28 -13.566 -3.022 2.845 176 HZ2 LYS 28 2HZ LYS 28 -14.157 -2.063 4.106 177 HZ3 LYS 28 3HZ LYS 28 -14.263 -3.749 4.204 178 H TRP 29 H TRP 29 -8.486 1.614 1.911 179 HA TRP 29 HA TRP 29 -7.296 1.739 -0.755 180 HB2 TRP 29 1HB TRP 29 -6.805 3.213 1.819 181 HB3 TRP 29 2HB TRP 29 -5.623 3.256 0.513 182 HD1 TRP 29 HD TRP 29 -8.882 4.767 1.613 183 HE1 TRP 29 1HE TRP 29 -9.672 6.485 -0.134 184 HE3 TRP 29 3HE TRP 29 -5.587 3.680 -2.142 185 HZ2 TRP 29 2HZ TRP 29 -8.988 7.274 -2.756 186 HZ3 TRP 29 3HZ TRP 29 -5.722 4.962 -4.237 187 HH2 TRP 29 HH TRP 29 -7.388 6.721 -4.537 188 H ARG 30 H ARG 30 -6.198 -0.072 -1.229 189 HA ARG 30 HA ARG 30 -4.671 -1.469 0.798 190 HB2 ARG 30 1HB ARG 30 -4.883 -2.035 -2.164 191 HB3 ARG 30 2HB ARG 30 -4.234 -3.114 -0.937 192 HG2 ARG 30 1HG ARG 30 -7.057 -2.135 -0.783 193 HG3 ARG 30 2HG ARG 30 -6.620 -3.512 -1.796 194 HD2 ARG 30 1HD ARG 30 -7.001 -4.704 0.072 195 HD3 ARG 30 2HD ARG 30 -5.381 -4.169 0.520 196 HE ARG 30 HE ARG 30 -6.929 -2.185 1.468 197 HH11 ARG 30 1HH1 ARG 30 -7.099 -5.649 1.774 198 HH12 ARG 30 2HH1 ARG 30 -7.841 -5.605 3.340 199 HH21 ARG 30 1HH2 ARG 30 -7.905 -2.114 3.529 200 HH22 ARG 30 2HH2 ARG 30 -8.299 -3.594 4.336 201 H ARG 31 H ARG 31 -2.401 -2.064 0.420 202 HA ARG 31 HA ARG 31 -0.929 0.151 -0.849 203 HB2 ARG 31 1HB ARG 31 0.917 -0.486 0.763 204 HB3 ARG 31 2HB ARG 31 -0.516 0.234 1.484 205 HG2 ARG 31 1HG ARG 31 -1.311 -2.052 2.047 206 HG3 ARG 31 2HG ARG 31 0.229 -2.680 1.457 207 HD2 ARG 31 1HD ARG 31 1.274 -0.985 3.112 208 HD3 ARG 31 2HD ARG 31 -0.326 -0.973 3.853 209 HE ARG 31 HE ARG 31 0.259 -3.609 3.678 210 HH11 ARG 31 1HH1 ARG 31 1.949 -0.859 4.983 211 HH12 ARG 31 2HH1 ARG 31 2.763 -1.776 6.207 212 HH21 ARG 31 1HH2 ARG 31 1.325 -4.827 5.285 213 HH22 ARG 31 2HH2 ARG 31 2.408 -4.033 6.377 214 H LEU 32 H LEU 32 -0.048 -0.443 -2.712 215 HA LEU 32 HA LEU 32 0.460 -3.192 -3.359 216 HB2 LEU 32 1HB LEU 32 1.167 -0.663 -4.841 217 HB3 LEU 32 2HB LEU 32 1.299 -2.297 -5.489 218 HG LEU 32 HG LEU 32 -1.290 -0.998 -4.648 219 HD11 LEU 32 1HD1 LEU 32 0.229 -0.949 -7.183 220 HD12 LEU 32 2HD1 LEU 32 -0.901 0.225 -6.511 221 HD13 LEU 32 3HD1 LEU 32 -1.508 -1.230 -7.300 222 HD21 LEU 32 1HD2 LEU 32 -0.533 -3.692 -5.351 223 HD22 LEU 32 2HD2 LEU 32 -1.730 -3.052 -6.477 224 HD23 LEU 32 3HD2 LEU 32 -2.072 -3.077 -4.747 225 H CYS 33 H CYS 33 2.737 -3.360 -4.708 226 HA CYS 33 HA CYS 33 4.701 -3.746 -2.795 227 HB2 CYS 33 1HB CYS 33 4.701 -4.787 -5.041 228 HB3 CYS 33 2HB CYS 33 5.126 -3.232 -5.746 229 HG CYS 33 HG CYS 33 7.322 -5.114 -5.567 230 H GLY 34 H GLY 34 4.577 -1.122 -5.215 231 HA2 GLY 34 1HA GLY 34 4.989 1.101 -3.869 232 HA3 GLY 34 2HA GLY 34 6.568 0.357 -3.660 233 H ASN 35 H ASN 35 6.469 -0.872 -6.345 234 HA ASN 35 HA ASN 35 7.280 1.512 -7.836 235 HB2 ASN 35 1HB ASN 35 8.459 -0.044 -9.319 236 HB3 ASN 35 2HB ASN 35 8.922 -0.306 -7.640 237 HD21 ASN 35 1HD2 ASN 35 8.198 -2.159 -6.569 238 HD22 ASN 35 2HD2 ASN 35 7.622 -3.539 -7.435 239 H ILE 36 H ILE 36 4.461 0.644 -7.444 240 HA ILE 36 HA ILE 36 3.730 0.216 -10.267 241 HB ILE 36 HB ILE 36 2.121 -0.449 -7.799 242 HG12 ILE 36 1HG1 ILE 36 3.346 -2.301 -9.851 243 HG13 ILE 36 2HG1 ILE 36 4.071 -1.948 -8.287 244 HG21 ILE 36 1HG2 ILE 36 0.983 -1.710 -9.982 245 HG22 ILE 36 2HG2 ILE 36 0.359 -0.287 -9.150 246 HG23 ILE 36 3HG2 ILE 36 1.377 -0.098 -10.578 247 HD11 ILE 36 1HD1 ILE 36 2.189 -3.931 -8.923 248 HD12 ILE 36 2HD1 ILE 36 2.847 -3.521 -7.339 249 HD13 ILE 36 3HD1 ILE 36 1.363 -2.754 -7.903 250 H ASP 37 H ASP 37 2.437 1.662 -11.263 251 HA ASP 37 HA ASP 37 1.599 4.001 -9.690 252 HB2 ASP 37 1HB ASP 37 2.936 3.736 -12.202 253 HB3 ASP 37 2HB ASP 37 1.380 4.514 -12.477 254 HA PRO 38 HA PRO 38 -2.651 3.097 -10.325 255 HB2 PRO 38 1HB PRO 38 -3.691 5.605 -10.353 256 HB3 PRO 38 2HB PRO 38 -3.099 4.827 -8.881 257 HG2 PRO 38 1HG PRO 38 -1.738 6.826 -10.645 258 HG3 PRO 38 2HG PRO 38 -1.795 6.752 -8.874 259 HD2 PRO 38 1HD PRO 38 0.342 5.897 -10.300 260 HD3 PRO 38 2HD PRO 38 -0.140 5.152 -8.762 261 H SER 39 H SER 39 -1.011 5.287 -12.507 262 HA SER 39 HA SER 39 -3.082 5.532 -14.423 263 HB2 SER 39 1HB SER 39 -0.155 6.093 -14.359 264 HB3 SER 39 2HB SER 39 -0.932 5.981 -15.938 265 HG SER 39 HG SER 39 -1.445 7.985 -15.546 266 H VAL 40 H VAL 40 -0.545 3.176 -13.898 267 HA VAL 40 HA VAL 40 -1.222 1.782 -16.378 268 HB VAL 40 HB VAL 40 0.684 0.324 -15.874 269 HG11 VAL 40 1HG1 VAL 40 2.467 2.025 -16.080 270 HG12 VAL 40 2HG1 VAL 40 1.105 2.323 -17.161 271 HG13 VAL 40 3HG1 VAL 40 1.286 3.273 -15.686 272 HG21 VAL 40 1HG2 VAL 40 2.130 0.744 -13.975 273 HG22 VAL 40 2HG2 VAL 40 1.088 2.062 -13.440 274 HG23 VAL 40 3HG2 VAL 40 0.493 0.402 -13.417 275 H LEU 41 H LEU 41 -3.053 1.915 -14.060 276 HA LEU 41 HA LEU 41 -3.253 -0.973 -13.507 277 HB2 LEU 41 1HB LEU 41 -3.778 1.403 -11.771 278 HB3 LEU 41 2HB LEU 41 -4.643 -0.106 -11.486 279 HG LEU 41 HG LEU 41 -1.643 -0.006 -11.571 280 HD11 LEU 41 1HD1 LEU 41 -1.650 1.246 -9.732 281 HD12 LEU 41 2HD1 LEU 41 -2.374 -0.134 -8.907 282 HD13 LEU 41 3HD1 LEU 41 -3.403 1.135 -9.571 283 HD21 LEU 41 1HD2 LEU 41 -2.042 -1.968 -9.985 284 HD22 LEU 41 2HD2 LEU 41 -2.420 -2.212 -11.691 285 HD23 LEU 41 3HD2 LEU 41 -3.717 -1.912 -10.533 286 HA PRO 42 HA PRO 42 -7.208 -0.973 -15.415 287 HB2 PRO 42 1HB PRO 42 -8.474 -2.893 -13.973 288 HB3 PRO 42 2HB PRO 42 -7.201 -3.255 -15.145 289 HG2 PRO 42 1HG PRO 42 -7.024 -3.032 -12.165 290 HG3 PRO 42 2HG PRO 42 -6.290 -4.234 -13.242 291 HD2 PRO 42 1HD PRO 42 -4.901 -2.140 -12.235 292 HD3 PRO 42 2HD PRO 42 -4.559 -2.832 -13.833 293 H ASP 43 H ASP 43 -9.560 -0.752 -14.960 294 HA ASP 43 HA ASP 43 -9.962 1.221 -12.861 295 HB2 ASP 43 1HB ASP 43 -11.878 0.281 -15.005 296 HB3 ASP 43 2HB ASP 43 -12.085 1.685 -13.962 297 H ASN 44 H ASN 44 -10.788 -2.067 -13.603 298 HA ASN 44 HA ASN 44 -12.730 -2.173 -11.418 299 HB2 ASN 44 1HB ASN 44 -13.040 -4.561 -12.256 300 HB3 ASN 44 2HB ASN 44 -13.533 -3.277 -13.356 301 HD21 ASN 44 1HD2 ASN 44 -13.340 -4.793 -15.063 302 HD22 ASN 44 2HD2 ASN 44 -11.793 -5.185 -15.723 303 H TRP 45 H TRP 45 -9.950 -1.761 -10.819 304 HA TRP 45 HA TRP 45 -8.729 -4.194 -9.999 305 HB2 TRP 45 1HB TRP 45 -7.491 -2.069 -10.423 306 HB3 TRP 45 2HB TRP 45 -8.208 -1.401 -8.959 307 HD1 TRP 45 HD TRP 45 -5.379 -3.569 -10.154 308 HE1 TRP 45 1HE TRP 45 -3.962 -4.325 -8.142 309 HE3 TRP 45 3HE TRP 45 -8.471 -2.063 -6.371 310 HZ2 TRP 45 2HZ TRP 45 -4.133 -4.289 -5.325 311 HZ3 TRP 45 3HZ TRP 45 -7.771 -2.462 -4.046 312 HH2 TRP 45 HH TRP 45 -5.647 -3.552 -3.536 313 H SER 46 H SER 46 -8.622 -5.159 -7.992 314 HA SER 46 HA SER 46 -10.303 -4.058 -5.857 315 HB2 SER 46 1HB SER 46 -11.048 -6.511 -5.456 316 HB3 SER 46 2HB SER 46 -11.825 -5.599 -6.750 317 HG SER 46 HG SER 46 -10.098 -7.762 -6.886 318 H CYS 47 H CYS 47 -10.035 -5.583 -3.834 319 HA CYS 47 HA CYS 47 -7.383 -5.364 -2.981 320 HB2 CYS 47 1HB CYS 47 -9.490 -7.206 -1.835 321 HB3 CYS 47 2HB CYS 47 -8.074 -6.574 -1.000 322 H ASP 48 H ASP 48 -9.077 -7.972 -4.558 323 HA ASP 48 HA ASP 48 -7.281 -10.063 -3.974 324 HB2 ASP 48 1HB ASP 48 -9.470 -10.569 -4.847 325 HB3 ASP 48 2HB ASP 48 -9.148 -9.648 -6.314 326 H GLN 49 H GLN 49 -6.996 -7.335 -6.002 327 HA GLN 49 HA GLN 49 -4.836 -8.555 -7.563 328 HB2 GLN 49 1HB GLN 49 -6.371 -5.979 -7.880 329 HB3 GLN 49 2HB GLN 49 -4.939 -6.355 -8.829 330 HG2 GLN 49 1HG GLN 49 -6.013 -8.255 -9.812 331 HG3 GLN 49 2HG GLN 49 -7.407 -8.071 -8.748 332 HE21 GLN 49 1HE2 GLN 49 -9.095 -7.234 -9.718 333 HE22 GLN 49 2HE2 GLN 49 -9.073 -6.072 -10.996 334 H ASN 50 H ASN 50 -4.561 -7.905 -4.727 335 HA ASN 50 HA ASN 50 -2.717 -5.636 -4.753 336 HB2 ASN 50 1HB ASN 50 -4.564 -6.174 -2.940 337 HB3 ASN 50 2HB ASN 50 -3.303 -7.211 -2.281 338 HD21 ASN 50 1HD2 ASN 50 -2.419 -6.224 -0.620 339 HD22 ASN 50 2HD2 ASN 50 -1.930 -4.568 -0.562 340 H THR 51 H THR 51 -0.580 -5.815 -3.924 341 HA THR 51 HA THR 51 0.648 -8.378 -4.553 342 HB THR 51 HB THR 51 2.760 -7.227 -4.541 343 HG1 THR 51 1HG THR 51 2.911 -5.684 -3.094 344 HG21 THR 51 1HG2 THR 51 0.713 -6.646 -6.283 345 HG22 THR 51 2HG2 THR 51 2.408 -6.215 -6.512 346 HG23 THR 51 3HG2 THR 51 1.287 -5.048 -5.811 347 H ASP 52 H ASP 52 -0.190 -6.473 -1.808 348 HA ASP 52 HA ASP 52 1.626 -7.893 -0.032 349 HB2 ASP 52 1HB ASP 52 1.105 -5.432 0.216 350 HB3 ASP 52 2HB ASP 52 -0.514 -5.901 0.724 351 H VAL 53 H VAL 53 1.069 -9.895 0.520 352 HA VAL 53 HA VAL 53 -1.454 -11.042 0.348 353 HB VAL 53 HB VAL 53 -0.612 -12.842 1.762 354 HG11 VAL 53 1HG1 VAL 53 1.765 -12.957 0.488 355 HG12 VAL 53 2HG1 VAL 53 0.219 -13.331 -0.276 356 HG13 VAL 53 3HG1 VAL 53 0.941 -11.735 -0.480 357 HG21 VAL 53 1HG2 VAL 53 1.913 -12.439 2.466 358 HG22 VAL 53 2HG2 VAL 53 1.360 -10.767 2.550 359 HG23 VAL 53 3HG2 VAL 53 0.570 -12.006 3.524 360 H GLN 54 H GLN 54 -0.090 -9.037 2.821 361 HA GLN 54 HA GLN 54 -1.803 -9.769 4.951 362 HB2 GLN 54 1HB GLN 54 -0.462 -7.101 4.488 363 HB3 GLN 54 2HB GLN 54 -1.065 -7.719 6.020 364 HG2 GLN 54 1HG GLN 54 0.623 -9.691 5.411 365 HG3 GLN 54 2HG GLN 54 1.412 -8.371 4.550 366 HE21 GLN 54 1HE2 GLN 54 1.789 -10.002 7.178 367 HE22 GLN 54 2HE2 GLN 54 2.241 -8.781 8.313 368 H TYR 55 H TYR 55 -2.242 -7.819 2.145 369 HA TYR 55 HA TYR 55 -4.993 -7.279 2.966 370 HB2 TYR 55 1HB TYR 55 -3.184 -5.120 1.864 371 HB3 TYR 55 2HB TYR 55 -4.881 -4.942 2.297 372 HD1 TYR 55 2HD TYR 55 -1.496 -5.537 3.668 373 HD2 TYR 55 1HD TYR 55 -5.532 -4.507 4.533 374 HE1 TYR 55 2HE TYR 55 -0.839 -4.908 5.953 375 HE2 TYR 55 1HE TYR 55 -4.887 -3.874 6.820 376 HH TYR 55 HH TYR 55 -3.126 -4.305 8.423 377 H ASN 56 H ASN 56 -4.452 -9.229 1.262 378 HA ASN 56 HA ASN 56 -4.871 -8.105 -1.427 379 HB2 ASN 56 1HB ASN 56 -3.818 -9.955 -2.361 380 HB3 ASN 56 2HB ASN 56 -2.894 -9.721 -0.880 381 HD21 ASN 56 1HD2 ASN 56 -3.365 -11.084 0.927 382 HD22 ASN 56 2HD2 ASN 56 -4.017 -12.664 0.672 383 H ARG 57 H ARG 57 -6.833 -8.647 0.813 384 HA ARG 57 HA ARG 57 -8.726 -10.194 -0.814 385 HB2 ARG 57 1HB ARG 57 -8.399 -10.452 2.181 386 HB3 ARG 57 2HB ARG 57 -9.620 -11.260 1.207 387 HG2 ARG 57 1HG ARG 57 -6.977 -11.784 0.185 388 HG3 ARG 57 2HG ARG 57 -7.102 -12.220 1.891 389 HD2 ARG 57 1HD ARG 57 -9.182 -13.485 1.333 390 HD3 ARG 57 2HD ARG 57 -8.858 -13.163 -0.370 391 HE ARG 57 HE ARG 57 -6.617 -14.365 0.898 392 HH11 ARG 57 1HH1 ARG 57 -9.767 -15.059 -0.410 393 HH12 ARG 57 2HH1 ARG 57 -9.391 -16.708 -0.787 394 HH21 ARG 57 1HH2 ARG 57 -6.110 -16.534 0.407 395 HH22 ARG 57 2HH2 ARG 57 -7.311 -17.546 -0.320 396 H CYS 58 H CYS 58 -10.959 -9.687 -0.437 397 HA CYS 58 HA CYS 58 -11.349 -6.889 0.151 398 HB2 CYS 58 1HB CYS 58 -13.118 -9.087 -0.892 399 HB3 CYS 58 2HB CYS 58 -13.790 -7.531 -0.416 400 H ASP 59 H ASP 59 -11.233 -9.609 2.016 401 HA ASP 59 HA ASP 59 -13.340 -8.778 3.864 402 HB2 ASP 59 1HB ASP 59 -12.849 -11.227 3.143 403 HB3 ASP 59 2HB ASP 59 -11.521 -11.129 4.297 404 H ILE 60 H ILE 60 -9.913 -8.681 3.465 405 HA ILE 60 HA ILE 60 -9.211 -8.316 6.199 406 HB ILE 60 HB ILE 60 -7.707 -7.506 3.708 407 HG12 ILE 60 1HG1 ILE 60 -7.152 -9.891 5.459 408 HG13 ILE 60 2HG1 ILE 60 -8.296 -9.985 4.125 409 HG21 ILE 60 1HG2 ILE 60 -7.225 -6.897 6.436 410 HG22 ILE 60 2HG2 ILE 60 -6.002 -8.052 5.910 411 HG23 ILE 60 3HG2 ILE 60 -6.217 -6.536 5.034 412 HD11 ILE 60 1HD1 ILE 60 -6.469 -10.653 3.002 413 HD12 ILE 60 2HD1 ILE 60 -6.197 -8.917 2.847 414 HD13 ILE 60 3HD1 ILE 60 -5.359 -9.833 4.099 415 HA PRO 61 HA PRO 61 -10.655 -4.136 6.610 416 HB2 PRO 61 1HB PRO 61 -9.600 -3.694 9.072 417 HB3 PRO 61 2HB PRO 61 -11.055 -4.662 8.811 418 HG2 PRO 61 1HG PRO 61 -8.234 -5.563 9.245 419 HG3 PRO 61 2HG PRO 61 -9.734 -6.212 9.933 420 HD2 PRO 61 1HD PRO 61 -8.467 -7.375 7.842 421 HD3 PRO 61 2HD PRO 61 -10.231 -7.418 8.033 422 H GLU 62 H GLU 62 -9.762 -1.997 6.845 423 HA GLU 62 HA GLU 62 -7.310 -1.651 5.487 424 HB2 GLU 62 1HB GLU 62 -8.943 0.335 7.078 425 HB3 GLU 62 2HB GLU 62 -7.611 0.754 6.010 426 HG2 GLU 62 1HG GLU 62 -8.808 0.018 4.093 427 HG3 GLU 62 2HG GLU 62 -10.074 -0.699 5.088 428 H GLU 63 H GLU 63 -5.468 -0.355 6.319 429 HA GLU 63 HA GLU 63 -4.681 -1.374 8.942 430 HB2 GLU 63 1HB GLU 63 -3.098 -1.827 7.205 431 HB3 GLU 63 2HB GLU 63 -3.112 -0.151 6.674 432 HG2 GLU 63 1HG GLU 63 -2.298 -0.673 9.469 433 HG3 GLU 63 2HG GLU 63 -1.185 -1.168 8.194 434 H THR 64 H THR 64 -4.128 1.682 7.185 435 HA THR 64 HA THR 64 -3.492 3.260 9.354 436 HB THR 64 HB THR 64 -5.150 4.564 7.270 437 HG1 THR 64 1HG THR 64 -3.388 4.308 5.755 438 HG21 THR 64 1HG2 THR 64 -3.236 6.121 7.252 439 HG22 THR 64 2HG2 THR 64 -2.396 5.077 8.399 440 HG23 THR 64 3HG2 THR 64 -3.888 5.888 8.873 441 H TRP 65 H TRP 65 -4.686 4.812 10.571 442 HA TRP 65 HA TRP 65 -7.409 3.910 11.154 443 HB2 TRP 65 1HB TRP 65 -5.586 5.752 12.718 444 HB3 TRP 65 2HB TRP 65 -7.171 5.190 13.244 445 HD1 TRP 65 HD TRP 65 -3.558 4.030 12.854 446 HE1 TRP 65 1HE TRP 65 -3.263 1.800 14.104 447 HE3 TRP 65 3HE TRP 65 -8.451 3.086 13.994 448 HZ2 TRP 65 2HZ TRP 65 -4.889 -0.108 15.401 449 HZ3 TRP 65 3HZ TRP 65 -8.997 1.036 15.241 450 HH2 TRP 65 HH TRP 65 -7.252 -0.527 15.928 451 H THR 66 H THR 66 -6.991 5.419 8.787 452 HA THR 66 HA THR 66 -7.400 8.142 8.935 453 HB THR 66 HB THR 66 -7.023 7.115 6.797 454 HG1 THR 66 1HG THR 66 -8.236 8.571 5.854 455 HG21 THR 66 1HG2 THR 66 -8.088 4.977 7.120 456 HG22 THR 66 2HG2 THR 66 -8.797 5.753 5.704 457 HG23 THR 66 3HG2 THR 66 -9.674 5.739 7.234 458 H GLY 67 H GLY 67 -9.654 5.547 9.544 459 HA2 GLY 67 1HA GLY 67 -11.612 5.745 10.822 460 HA3 GLY 67 2HA GLY 67 -11.561 7.487 10.589 461 H LEU 68 H LEU 68 -13.394 4.922 9.966 462 HA LEU 68 HA LEU 68 -14.098 5.623 7.221 463 HB2 LEU 68 1HB LEU 68 -13.860 3.241 7.983 464 HB3 LEU 68 2HB LEU 68 -15.302 3.485 8.966 465 HG LEU 68 HG LEU 68 -16.480 4.081 6.776 466 HD11 LEU 68 1HD1 LEU 68 -14.254 2.513 5.521 467 HD12 LEU 68 2HD1 LEU 68 -14.230 4.275 5.572 468 HD13 LEU 68 3HD1 LEU 68 -15.539 3.435 4.741 469 HD21 LEU 68 1HD2 LEU 68 -17.077 2.068 7.814 470 HD22 LEU 68 2HD2 LEU 68 -15.508 1.331 7.490 471 HD23 LEU 68 3HD2 LEU 68 -16.644 1.606 6.168 472 H GLU 69 H GLU 69 -14.773 7.784 8.213 473 HA GLU 69 HA GLU 69 -17.289 7.791 9.626 474 HB2 GLU 69 1HB GLU 69 -15.400 9.886 8.632 475 HB3 GLU 69 2HB GLU 69 -17.047 10.345 9.042 476 HG2 GLU 69 1HG GLU 69 -15.237 8.873 10.934 477 HG3 GLU 69 2HG GLU 69 -15.333 10.631 10.857 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.164 9.997 -18.069 2 HA2 GLY 1 1HA GLY 1 -2.569 10.907 -15.783 3 HA3 GLY 1 2HA GLY 1 -2.843 9.235 -16.249 4 H SER 2 H SER 2 -1.521 12.135 -17.852 5 HA SER 2 HA SER 2 0.354 10.656 -19.376 6 HB2 SER 2 1HB SER 2 0.012 13.583 -18.765 7 HB3 SER 2 2HB SER 2 1.402 13.004 -19.684 8 HG SER 2 HG SER 2 -1.177 12.195 -20.435 9 H SER 3 H SER 3 2.592 10.469 -19.159 10 HA SER 3 HA SER 3 3.527 10.138 -16.495 11 HB2 SER 3 1HB SER 3 5.800 9.926 -17.883 12 HB3 SER 3 2HB SER 3 4.591 8.642 -17.872 13 HG SER 3 HG SER 3 5.422 10.232 -19.923 14 H GLY 4 H GLY 4 4.926 12.158 -19.086 15 HA2 GLY 4 1HA GLY 4 5.423 14.468 -18.894 16 HA3 GLY 4 2HA GLY 4 5.277 14.328 -17.148 17 H SER 5 H SER 5 7.094 14.253 -15.998 18 HA SER 5 HA SER 5 9.625 14.069 -17.435 19 HB2 SER 5 1HB SER 5 9.276 14.676 -14.501 20 HB3 SER 5 2HB SER 5 10.633 15.093 -15.547 21 HG SER 5 HG SER 5 9.368 16.913 -15.271 22 H SER 6 H SER 6 11.444 12.925 -16.241 23 HA SER 6 HA SER 6 10.802 10.184 -16.021 24 HB2 SER 6 1HB SER 6 13.000 10.801 -16.763 25 HB3 SER 6 2HB SER 6 13.300 11.725 -15.291 26 HG SER 6 HG SER 6 14.072 9.946 -14.510 27 H GLY 7 H GLY 7 10.688 8.817 -14.257 28 HA2 GLY 7 1HA GLY 7 11.185 9.637 -11.583 29 HA3 GLY 7 2HA GLY 7 9.468 9.740 -11.942 30 H GLU 8 H GLU 8 11.656 7.347 -13.300 31 HA GLU 8 HA GLU 8 10.013 5.250 -12.099 32 HB2 GLU 8 1HB GLU 8 11.992 5.292 -14.366 33 HB3 GLU 8 2HB GLU 8 11.423 3.780 -13.672 34 HG2 GLU 8 1HG GLU 8 9.170 4.260 -14.293 35 HG3 GLU 8 2HG GLU 8 9.602 5.894 -14.791 36 H ILE 9 H ILE 9 11.721 6.618 -10.338 37 HA ILE 9 HA ILE 9 14.156 5.180 -9.942 38 HB ILE 9 HB ILE 9 12.680 6.856 -7.912 39 HG12 ILE 9 1HG1 ILE 9 13.004 8.148 -9.961 40 HG13 ILE 9 2HG1 ILE 9 14.080 8.730 -8.696 41 HG21 ILE 9 1HG2 ILE 9 14.333 6.110 -6.606 42 HG22 ILE 9 2HG2 ILE 9 15.251 5.484 -7.974 43 HG23 ILE 9 3HG2 ILE 9 15.376 7.187 -7.533 44 HD11 ILE 9 1HD1 ILE 9 14.694 7.567 -11.292 45 HD12 ILE 9 2HD1 ILE 9 15.665 8.610 -10.251 46 HD13 ILE 9 3HD1 ILE 9 15.626 6.870 -9.967 47 H SER 10 H SER 10 13.329 2.994 -9.995 48 HA SER 10 HA SER 10 11.763 2.159 -7.672 49 HB2 SER 10 1HB SER 10 11.689 -0.050 -8.826 50 HB3 SER 10 2HB SER 10 11.036 1.262 -9.807 51 HG SER 10 HG SER 10 13.157 -0.363 -10.285 52 H GLY 11 H GLY 11 14.022 2.984 -6.669 53 HA2 GLY 11 1HA GLY 11 15.752 0.608 -6.391 54 HA3 GLY 11 2HA GLY 11 16.291 2.263 -6.150 55 H PHE 12 H PHE 12 13.232 1.105 -4.926 56 HA PHE 12 HA PHE 12 12.397 1.031 -2.807 57 HB2 PHE 12 1HB PHE 12 15.098 -0.260 -2.419 58 HB3 PHE 12 2HB PHE 12 13.883 -0.192 -1.147 59 HD1 PHE 12 1HD PHE 12 11.534 -1.128 -1.780 60 HD2 PHE 12 2HD PHE 12 15.132 -2.061 -3.854 61 HE1 PHE 12 1HE PHE 12 10.489 -3.172 -2.666 62 HE2 PHE 12 2HE PHE 12 14.093 -4.106 -4.744 63 HZ PHE 12 HZ PHE 12 11.769 -4.663 -4.151 64 H GLY 13 H GLY 13 13.288 3.534 -3.428 65 HA2 GLY 13 1HA GLY 13 14.946 4.469 -1.211 66 HA3 GLY 13 2HA GLY 13 14.407 5.426 -2.583 67 H GLN 14 H GLN 14 11.863 5.557 -2.641 68 HA GLN 14 HA GLN 14 10.432 5.520 -0.219 69 HB2 GLN 14 1HB GLN 14 12.218 7.587 -0.224 70 HB3 GLN 14 2HB GLN 14 10.786 8.362 -0.887 71 HG2 GLN 14 1HG GLN 14 10.496 6.709 1.564 72 HG3 GLN 14 2HG GLN 14 11.244 8.299 1.697 73 HE21 GLN 14 1HE2 GLN 14 9.993 10.087 0.632 74 HE22 GLN 14 2HE2 GLN 14 8.277 10.067 0.828 75 H CYS 15 H CYS 15 8.328 5.531 -0.701 76 HA CYS 15 HA CYS 15 7.153 7.204 -2.669 77 HB2 CYS 15 1HB CYS 15 6.410 5.370 -4.207 78 HB3 CYS 15 2HB CYS 15 8.136 5.709 -4.272 79 HG CYS 15 HG CYS 15 7.669 3.375 -2.037 80 H LEU 16 H LEU 16 4.944 7.271 -2.480 81 HA LEU 16 HA LEU 16 3.710 5.327 -0.647 82 HB2 LEU 16 1HB LEU 16 3.032 8.257 -0.726 83 HB3 LEU 16 2HB LEU 16 2.474 7.053 0.434 84 HG LEU 16 HG LEU 16 5.387 7.715 0.234 85 HD11 LEU 16 1HD1 LEU 16 3.673 9.168 2.182 86 HD12 LEU 16 2HD1 LEU 16 3.769 9.770 0.527 87 HD13 LEU 16 3HD1 LEU 16 5.235 9.613 1.494 88 HD21 LEU 16 1HD2 LEU 16 4.252 7.286 2.851 89 HD22 LEU 16 2HD2 LEU 16 5.542 6.410 2.027 90 HD23 LEU 16 3HD2 LEU 16 3.858 5.956 1.762 91 H VAL 17 H VAL 17 2.612 4.153 -2.152 92 HA VAL 17 HA VAL 17 0.625 5.619 -3.763 93 HB VAL 17 HB VAL 17 0.761 3.855 -5.454 94 HG11 VAL 17 1HG1 VAL 17 2.153 5.377 -6.316 95 HG12 VAL 17 2HG1 VAL 17 2.955 5.649 -4.767 96 HG13 VAL 17 3HG1 VAL 17 3.449 4.302 -5.793 97 HG21 VAL 17 1HG2 VAL 17 1.402 1.914 -4.353 98 HG22 VAL 17 2HG2 VAL 17 2.849 2.340 -5.265 99 HG23 VAL 17 3HG2 VAL 17 2.756 2.701 -3.541 100 H TRP 18 H TRP 18 -1.445 5.035 -3.523 101 HA TRP 18 HA TRP 18 -2.037 2.474 -2.204 102 HB2 TRP 18 1HB TRP 18 -3.369 5.120 -1.587 103 HB3 TRP 18 2HB TRP 18 -3.796 3.562 -0.885 104 HD1 TRP 18 HD TRP 18 -0.769 5.983 -0.981 105 HE1 TRP 18 1HE TRP 18 0.508 5.744 1.241 106 HE3 TRP 18 3HE TRP 18 -3.486 2.191 1.111 107 HZ2 TRP 18 2HZ TRP 18 0.380 4.157 3.572 108 HZ3 TRP 18 3HZ TRP 18 -2.843 1.370 3.340 109 HH2 TRP 18 HH TRP 18 -0.949 2.334 4.543 110 H VAL 19 H VAL 19 -3.800 1.379 -2.953 111 HA VAL 19 HA VAL 19 -5.258 2.623 -5.195 112 HB VAL 19 HB VAL 19 -5.619 0.233 -5.978 113 HG11 VAL 19 1HG1 VAL 19 -3.398 0.110 -7.053 114 HG12 VAL 19 2HG1 VAL 19 -4.106 1.725 -7.129 115 HG13 VAL 19 3HG1 VAL 19 -2.828 1.375 -5.965 116 HG21 VAL 19 1HG2 VAL 19 -3.944 -1.413 -5.235 117 HG22 VAL 19 2HG2 VAL 19 -3.381 -0.269 -4.017 118 HG23 VAL 19 3HG2 VAL 19 -5.019 -0.916 -3.928 119 H GLN 20 H GLN 20 -7.400 2.770 -5.018 120 HA GLN 20 HA GLN 20 -8.688 1.623 -2.674 121 HB2 GLN 20 1HB GLN 20 -8.958 4.051 -3.533 122 HB3 GLN 20 2HB GLN 20 -10.048 3.351 -4.722 123 HG2 GLN 20 1HG GLN 20 -11.202 2.289 -2.655 124 HG3 GLN 20 2HG GLN 20 -10.354 3.550 -1.761 125 HE21 GLN 20 1HE2 GLN 20 -12.128 4.716 -1.186 126 HE22 GLN 20 2HE2 GLN 20 -13.126 5.560 -2.316 127 H CYS 21 H CYS 21 -10.013 -0.080 -2.706 128 HA CYS 21 HA CYS 21 -10.189 -1.841 -4.821 129 HB2 CYS 21 1HB CYS 21 -10.785 -2.226 -2.365 130 HB3 CYS 21 2HB CYS 21 -12.366 -1.556 -2.754 131 H SER 22 H SER 22 -11.993 -2.466 -6.167 132 HA SER 22 HA SER 22 -13.272 -0.160 -7.349 133 HB2 SER 22 1HB SER 22 -12.438 -1.696 -8.938 134 HB3 SER 22 2HB SER 22 -13.126 -3.079 -8.087 135 HG SER 22 HG SER 22 -14.320 -2.450 -9.972 136 H PHE 23 H PHE 23 -14.131 -2.801 -5.270 137 HA PHE 23 HA PHE 23 -16.959 -2.601 -5.653 138 HB2 PHE 23 1HB PHE 23 -15.335 -3.888 -3.450 139 HB3 PHE 23 2HB PHE 23 -17.080 -4.044 -3.624 140 HD1 PHE 23 2HD PHE 23 -17.800 -4.794 -6.104 141 HD2 PHE 23 1HD PHE 23 -14.063 -5.614 -4.238 142 HE1 PHE 23 2HE PHE 23 -17.478 -6.718 -7.603 143 HE2 PHE 23 1HE PHE 23 -13.734 -7.539 -5.735 144 HZ PHE 23 HZ PHE 23 -15.443 -8.094 -7.419 145 HA PRO 24 HA PRO 24 -17.833 0.860 -3.081 146 HB2 PRO 24 1HB PRO 24 -20.415 0.298 -2.458 147 HB3 PRO 24 2HB PRO 24 -19.914 0.868 -4.054 148 HG2 PRO 24 1HG PRO 24 -20.498 -1.921 -3.136 149 HG3 PRO 24 2HG PRO 24 -20.969 -1.118 -4.646 150 HD2 PRO 24 1HD PRO 24 -18.883 -2.839 -4.500 151 HD3 PRO 24 2HD PRO 24 -18.907 -1.460 -5.618 152 H ASN 25 H ASN 25 -19.086 -2.241 -1.834 153 HA ASN 25 HA ASN 25 -19.270 -1.517 0.847 154 HB2 ASN 25 1HB ASN 25 -19.396 -3.852 1.343 155 HB3 ASN 25 2HB ASN 25 -20.170 -3.619 -0.222 156 HD21 ASN 25 1HD2 ASN 25 -19.246 -4.473 -2.046 157 HD22 ASN 25 2HD2 ASN 25 -17.923 -5.582 -2.000 158 H CYS 26 H CYS 26 -16.502 -2.263 -1.080 159 HA CYS 26 HA CYS 26 -14.771 -2.704 1.207 160 HB2 CYS 26 1HB CYS 26 -14.626 -3.139 -1.662 161 HB3 CYS 26 2HB CYS 26 -13.167 -2.366 -1.051 162 H GLY 27 H GLY 27 -14.262 -0.577 -1.598 163 HA2 GLY 27 1HA GLY 27 -13.343 1.526 -1.731 164 HA3 GLY 27 2HA GLY 27 -14.388 1.887 -0.365 165 H LYS 28 H LYS 28 -11.853 -0.500 -0.160 166 HA LYS 28 HA LYS 28 -10.537 1.136 1.872 167 HB2 LYS 28 1HB LYS 28 -10.157 -1.766 1.111 168 HB3 LYS 28 2HB LYS 28 -9.316 -0.951 2.424 169 HG2 LYS 28 1HG LYS 28 -11.465 -0.544 3.533 170 HG3 LYS 28 2HG LYS 28 -12.288 -1.399 2.226 171 HD2 LYS 28 1HD LYS 28 -11.140 -3.446 2.781 172 HD3 LYS 28 2HD LYS 28 -10.161 -2.612 3.989 173 HE2 LYS 28 1HE LYS 28 -11.998 -3.880 5.008 174 HE3 LYS 28 2HE LYS 28 -12.143 -2.150 5.311 175 HZ1 LYS 28 1HZ LYS 28 -14.014 -2.004 4.095 176 HZ2 LYS 28 2HZ LYS 28 -14.145 -3.656 4.432 177 HZ3 LYS 28 3HZ LYS 28 -13.511 -3.143 2.950 178 H TRP 29 H TRP 29 -8.357 1.669 1.816 179 HA TRP 29 HA TRP 29 -7.204 1.740 -0.866 180 HB2 TRP 29 1HB TRP 29 -6.592 3.223 1.687 181 HB3 TRP 29 2HB TRP 29 -5.526 3.294 0.287 182 HD1 TRP 29 HD TRP 29 -8.751 4.695 1.646 183 HE1 TRP 29 1HE TRP 29 -9.693 6.431 -0.004 184 HE3 TRP 29 3HE TRP 29 -5.656 3.805 -2.325 185 HZ2 TRP 29 2HZ TRP 29 -9.192 7.307 -2.640 186 HZ3 TRP 29 3HZ TRP 29 -5.954 5.135 -4.373 187 HH2 TRP 29 HH TRP 29 -7.686 6.849 -4.526 188 H ARG 30 H ARG 30 -6.223 -0.176 -1.270 189 HA ARG 30 HA ARG 30 -4.645 -1.522 0.732 190 HB2 ARG 30 1HB ARG 30 -4.900 -2.124 -2.220 191 HB3 ARG 30 2HB ARG 30 -4.243 -3.194 -0.988 192 HG2 ARG 30 1HG ARG 30 -7.056 -2.186 -0.812 193 HG3 ARG 30 2HG ARG 30 -6.643 -3.584 -1.806 194 HD2 ARG 30 1HD ARG 30 -7.056 -4.710 0.108 195 HD3 ARG 30 2HD ARG 30 -5.391 -4.259 0.472 196 HE ARG 30 HE ARG 30 -6.780 -2.178 1.456 197 HH11 ARG 30 1HH1 ARG 30 -7.132 -5.622 1.828 198 HH12 ARG 30 2HH1 ARG 30 -7.797 -5.513 3.424 199 HH21 ARG 30 1HH2 ARG 30 -7.655 -2.022 3.557 200 HH22 ARG 30 2HH2 ARG 30 -8.095 -3.465 4.406 201 H ARG 31 H ARG 31 -2.385 -2.141 0.345 202 HA ARG 31 HA ARG 31 -0.891 0.117 -0.785 203 HB2 ARG 31 1HB ARG 31 -0.449 -0.365 1.566 204 HB3 ARG 31 2HB ARG 31 -0.037 -2.027 1.167 205 HG2 ARG 31 1HG ARG 31 2.012 -0.939 1.459 206 HG3 ARG 31 2HG ARG 31 1.805 -1.061 -0.290 207 HD2 ARG 31 1HD ARG 31 1.447 1.189 -0.542 208 HD3 ARG 31 2HD ARG 31 0.808 1.379 1.090 209 HE ARG 31 HE ARG 31 3.542 0.695 1.203 210 HH11 ARG 31 1HH1 ARG 31 1.434 3.341 0.382 211 HH12 ARG 31 2HH1 ARG 31 2.601 4.562 0.770 212 HH21 ARG 31 1HH2 ARG 31 5.087 2.292 1.717 213 HH22 ARG 31 2HH2 ARG 31 4.679 3.964 1.528 214 H LEU 32 H LEU 32 0.506 -0.124 -2.441 215 HA LEU 32 HA LEU 32 0.722 -2.809 -3.620 216 HB2 LEU 32 1HB LEU 32 0.716 -0.051 -4.769 217 HB3 LEU 32 2HB LEU 32 1.499 -1.363 -5.648 218 HG LEU 32 HG LEU 32 -1.408 -1.277 -4.842 219 HD11 LEU 32 1HD1 LEU 32 -1.165 0.286 -6.566 220 HD12 LEU 32 2HD1 LEU 32 -1.673 -1.195 -7.378 221 HD13 LEU 32 3HD1 LEU 32 0.021 -0.704 -7.418 222 HD21 LEU 32 1HD2 LEU 32 -1.233 -3.190 -6.719 223 HD22 LEU 32 2HD2 LEU 32 -1.130 -3.513 -4.988 224 HD23 LEU 32 3HD2 LEU 32 0.343 -3.378 -5.950 225 H CYS 33 H CYS 33 2.809 -2.934 -5.071 226 HA CYS 33 HA CYS 33 5.023 -2.763 -3.258 227 HB2 CYS 33 1HB CYS 33 4.485 -4.534 -5.134 228 HB3 CYS 33 2HB CYS 33 5.370 -3.411 -6.158 229 HG CYS 33 HG CYS 33 6.747 -5.779 -4.830 230 H GLY 34 H GLY 34 7.123 -1.802 -3.889 231 HA2 GLY 34 1HA GLY 34 6.770 0.950 -4.572 232 HA3 GLY 34 2HA GLY 34 8.299 0.148 -4.242 233 H ASN 35 H ASN 35 7.436 -1.868 -6.409 234 HA ASN 35 HA ASN 35 8.538 -0.301 -8.626 235 HB2 ASN 35 1HB ASN 35 8.177 -3.293 -8.590 236 HB3 ASN 35 2HB ASN 35 9.283 -2.336 -9.572 237 HD21 ASN 35 1HD2 ASN 35 9.006 -4.259 -6.892 238 HD22 ASN 35 2HD2 ASN 35 10.470 -3.822 -6.086 239 H ILE 36 H ILE 36 5.750 -0.075 -7.828 240 HA ILE 36 HA ILE 36 4.534 -0.858 -10.383 241 HB ILE 36 HB ILE 36 3.174 -1.143 -7.701 242 HG12 ILE 36 1HG1 ILE 36 3.946 -3.305 -9.667 243 HG13 ILE 36 2HG1 ILE 36 4.909 -2.883 -8.256 244 HG21 ILE 36 1HG2 ILE 36 1.344 -0.789 -8.953 245 HG22 ILE 36 2HG2 ILE 36 2.199 -1.087 -10.465 246 HG23 ILE 36 3HG2 ILE 36 1.613 -2.443 -9.502 247 HD11 ILE 36 1HD1 ILE 36 3.739 -4.534 -7.297 248 HD12 ILE 36 2HD1 ILE 36 2.505 -3.288 -7.107 249 HD13 ILE 36 3HD1 ILE 36 2.418 -4.417 -8.459 250 H ASP 37 H ASP 37 3.278 0.669 -11.309 251 HA ASP 37 HA ASP 37 2.891 3.167 -9.800 252 HB2 ASP 37 1HB ASP 37 4.027 2.680 -12.356 253 HB3 ASP 37 2HB ASP 37 2.514 3.545 -12.612 254 HA PRO 38 HA PRO 38 -1.471 2.731 -10.067 255 HB2 PRO 38 1HB PRO 38 -2.223 5.339 -10.115 256 HB3 PRO 38 2HB PRO 38 -1.604 4.545 -8.662 257 HG2 PRO 38 1HG PRO 38 -0.176 6.320 -10.604 258 HG3 PRO 38 2HG PRO 38 -0.098 6.307 -8.833 259 HD2 PRO 38 1HD PRO 38 1.808 5.170 -10.384 260 HD3 PRO 38 2HD PRO 38 1.372 4.533 -8.785 261 H SER 39 H SER 39 0.282 4.491 -12.493 262 HA SER 39 HA SER 39 -1.914 4.970 -14.246 263 HB2 SER 39 1HB SER 39 1.061 5.149 -14.452 264 HB3 SER 39 2HB SER 39 0.118 5.128 -15.942 265 HG SER 39 HG SER 39 0.371 7.098 -14.045 266 H VAL 40 H VAL 40 0.325 2.333 -13.760 267 HA VAL 40 HA VAL 40 -0.619 0.949 -16.149 268 HB VAL 40 HB VAL 40 1.039 -0.788 -15.537 269 HG11 VAL 40 1HG1 VAL 40 1.557 1.247 -16.951 270 HG12 VAL 40 2HG1 VAL 40 2.329 1.930 -15.518 271 HG13 VAL 40 3HG1 VAL 40 2.941 0.434 -16.223 272 HG21 VAL 40 1HG2 VAL 40 2.439 -0.636 -13.683 273 HG22 VAL 40 2HG2 VAL 40 2.069 1.069 -13.420 274 HG23 VAL 40 3HG2 VAL 40 0.865 -0.164 -13.041 275 H LEU 41 H LEU 41 -2.615 1.357 -14.262 276 HA LEU 41 HA LEU 41 -3.037 -1.368 -13.220 277 HB2 LEU 41 1HB LEU 41 -3.707 1.307 -12.069 278 HB3 LEU 41 2HB LEU 41 -4.691 -0.096 -11.658 279 HG LEU 41 HG LEU 41 -1.720 0.126 -11.179 280 HD11 LEU 41 1HD1 LEU 41 -3.176 1.686 -9.835 281 HD12 LEU 41 2HD1 LEU 41 -2.199 0.552 -8.904 282 HD13 LEU 41 3HD1 LEU 41 -3.921 0.250 -9.133 283 HD21 LEU 41 1HD2 LEU 41 -2.366 -2.161 -11.448 284 HD22 LEU 41 2HD2 LEU 41 -3.774 -1.941 -10.408 285 HD23 LEU 41 3HD2 LEU 41 -2.149 -1.855 -9.724 286 HA PRO 42 HA PRO 42 -6.651 -1.680 -15.693 287 HB2 PRO 42 1HB PRO 42 -8.240 -3.213 -14.113 288 HB3 PRO 42 2HB PRO 42 -6.823 -3.849 -14.957 289 HG2 PRO 42 1HG PRO 42 -7.102 -2.997 -12.101 290 HG3 PRO 42 2HG PRO 42 -6.282 -4.420 -12.769 291 HD2 PRO 42 1HD PRO 42 -4.944 -2.194 -12.003 292 HD3 PRO 42 2HD PRO 42 -4.399 -3.222 -13.344 293 H ASP 43 H ASP 43 -9.226 -1.713 -15.245 294 HA ASP 43 HA ASP 43 -9.771 0.868 -13.966 295 HB2 ASP 43 1HB ASP 43 -10.416 0.195 -16.428 296 HB3 ASP 43 2HB ASP 43 -11.784 -0.584 -15.638 297 H ASN 44 H ASN 44 -10.454 -2.517 -13.728 298 HA ASN 44 HA ASN 44 -12.359 -1.974 -11.547 299 HB2 ASN 44 1HB ASN 44 -13.185 -4.314 -11.969 300 HB3 ASN 44 2HB ASN 44 -13.483 -3.184 -13.286 301 HD21 ASN 44 1HD2 ASN 44 -12.433 -6.208 -12.546 302 HD22 ASN 44 2HD2 ASN 44 -11.526 -6.555 -13.975 303 H TRP 45 H TRP 45 -9.834 -1.727 -10.786 304 HA TRP 45 HA TRP 45 -8.597 -4.174 -9.988 305 HB2 TRP 45 1HB TRP 45 -7.365 -2.031 -10.370 306 HB3 TRP 45 2HB TRP 45 -8.104 -1.393 -8.904 307 HD1 TRP 45 HD TRP 45 -5.280 -3.586 -10.102 308 HE1 TRP 45 1HE TRP 45 -3.876 -4.352 -8.086 309 HE3 TRP 45 3HE TRP 45 -8.358 -2.025 -6.331 310 HZ2 TRP 45 2HZ TRP 45 -4.051 -4.302 -5.269 311 HZ3 TRP 45 3HZ TRP 45 -7.666 -2.422 -4.003 312 HH2 TRP 45 HH TRP 45 -5.557 -3.538 -3.485 313 H SER 46 H SER 46 -8.465 -5.094 -7.938 314 HA SER 46 HA SER 46 -10.202 -4.021 -5.844 315 HB2 SER 46 1HB SER 46 -10.994 -6.467 -5.483 316 HB3 SER 46 2HB SER 46 -11.738 -5.525 -6.775 317 HG SER 46 HG SER 46 -9.936 -7.659 -6.929 318 H CYS 47 H CYS 47 -9.979 -5.520 -3.819 319 HA CYS 47 HA CYS 47 -7.344 -5.371 -2.930 320 HB2 CYS 47 1HB CYS 47 -9.502 -7.190 -1.842 321 HB3 CYS 47 2HB CYS 47 -8.084 -6.606 -0.977 322 H ASP 48 H ASP 48 -9.066 -7.964 -4.519 323 HA ASP 48 HA ASP 48 -7.277 -10.064 -3.946 324 HB2 ASP 48 1HB ASP 48 -9.516 -10.485 -4.822 325 HB3 ASP 48 2HB ASP 48 -9.100 -9.672 -6.329 326 H GLN 49 H GLN 49 -6.978 -7.333 -5.959 327 HA GLN 49 HA GLN 49 -4.844 -8.567 -7.545 328 HB2 GLN 49 1HB GLN 49 -6.366 -5.981 -7.841 329 HB3 GLN 49 2HB GLN 49 -4.937 -6.354 -8.797 330 HG2 GLN 49 1HG GLN 49 -6.020 -8.250 -9.784 331 HG3 GLN 49 2HG GLN 49 -7.414 -8.059 -8.721 332 HE21 GLN 49 1HE2 GLN 49 -9.095 -7.185 -9.669 333 HE22 GLN 49 2HE2 GLN 49 -9.063 -6.028 -10.952 334 H ASN 50 H ASN 50 -4.555 -7.915 -4.703 335 HA ASN 50 HA ASN 50 -2.691 -5.665 -4.733 336 HB2 ASN 50 1HB ASN 50 -4.525 -6.204 -2.908 337 HB3 ASN 50 2HB ASN 50 -3.265 -7.255 -2.268 338 HD21 ASN 50 1HD2 ASN 50 -2.346 -6.291 -0.613 339 HD22 ASN 50 2HD2 ASN 50 -1.850 -4.638 -0.545 340 H THR 51 H THR 51 -0.555 -5.868 -3.869 341 HA THR 51 HA THR 51 0.657 -8.431 -4.546 342 HB THR 51 HB THR 51 2.801 -7.256 -4.428 343 HG1 THR 51 1HG THR 51 2.968 -5.363 -3.478 344 HG21 THR 51 1HG2 THR 51 1.477 -5.215 -5.976 345 HG22 THR 51 2HG2 THR 51 0.757 -6.796 -6.284 346 HG23 THR 51 3HG2 THR 51 2.488 -6.553 -6.521 347 H ASP 52 H ASP 52 -0.170 -6.554 -1.784 348 HA ASP 52 HA ASP 52 1.649 -8.007 -0.030 349 HB2 ASP 52 1HB ASP 52 1.184 -5.534 0.230 350 HB3 ASP 52 2HB ASP 52 -0.439 -5.971 0.757 351 H VAL 53 H VAL 53 1.058 -9.985 0.559 352 HA VAL 53 HA VAL 53 -1.482 -11.093 0.386 353 HB VAL 53 HB VAL 53 -0.677 -12.893 1.820 354 HG11 VAL 53 1HG1 VAL 53 0.894 -11.833 -0.429 355 HG12 VAL 53 2HG1 VAL 53 1.713 -13.044 0.560 356 HG13 VAL 53 3HG1 VAL 53 0.166 -13.423 -0.200 357 HG21 VAL 53 1HG2 VAL 53 0.445 -11.704 3.552 358 HG22 VAL 53 2HG2 VAL 53 1.646 -12.725 2.760 359 HG23 VAL 53 3HG2 VAL 53 1.589 -10.998 2.411 360 H GLN 54 H GLN 54 -0.098 -9.086 2.846 361 HA GLN 54 HA GLN 54 -1.829 -9.769 4.976 362 HB2 GLN 54 1HB GLN 54 -0.457 -7.121 4.493 363 HB3 GLN 54 2HB GLN 54 -1.062 -7.726 6.030 364 HG2 GLN 54 1HG GLN 54 0.607 -9.717 5.424 365 HG3 GLN 54 2HG GLN 54 1.405 -8.406 4.558 366 HE21 GLN 54 1HE2 GLN 54 1.796 -10.032 7.178 367 HE22 GLN 54 2HE2 GLN 54 2.251 -8.813 8.314 368 H TYR 55 H TYR 55 -2.235 -7.852 2.144 369 HA TYR 55 HA TYR 55 -4.978 -7.259 2.952 370 HB2 TYR 55 1HB TYR 55 -3.148 -5.140 1.812 371 HB3 TYR 55 2HB TYR 55 -4.835 -4.935 2.267 372 HD1 TYR 55 2HD TYR 55 -1.438 -5.556 3.595 373 HD2 TYR 55 1HD TYR 55 -5.449 -4.468 4.508 374 HE1 TYR 55 2HE TYR 55 -0.740 -4.909 5.863 375 HE2 TYR 55 1HE TYR 55 -4.762 -3.817 6.779 376 HH TYR 55 HH TYR 55 -2.120 -4.748 8.238 377 H ASN 56 H ASN 56 -4.463 -9.240 1.275 378 HA ASN 56 HA ASN 56 -4.864 -8.146 -1.428 379 HB2 ASN 56 1HB ASN 56 -3.828 -10.017 -2.337 380 HB3 ASN 56 2HB ASN 56 -2.905 -9.778 -0.856 381 HD21 ASN 56 1HD2 ASN 56 -3.411 -11.111 0.969 382 HD22 ASN 56 2HD2 ASN 56 -4.074 -12.688 0.727 383 H ARG 57 H ARG 57 -6.832 -8.641 0.819 384 HA ARG 57 HA ARG 57 -8.742 -10.187 -0.792 385 HB2 ARG 57 1HB ARG 57 -8.392 -10.421 2.203 386 HB3 ARG 57 2HB ARG 57 -9.653 -11.203 1.259 387 HG2 ARG 57 1HG ARG 57 -7.030 -11.802 0.210 388 HG3 ARG 57 2HG ARG 57 -7.167 -12.241 1.913 389 HD2 ARG 57 1HD ARG 57 -9.287 -13.437 1.352 390 HD3 ARG 57 2HD ARG 57 -8.953 -13.120 -0.350 391 HE ARG 57 HE ARG 57 -6.750 -14.396 0.912 392 HH11 ARG 57 1HH1 ARG 57 -9.923 -14.987 -0.394 393 HH12 ARG 57 2HH1 ARG 57 -9.600 -16.646 -0.776 394 HH21 ARG 57 1HH2 ARG 57 -6.313 -16.579 0.415 395 HH22 ARG 57 2HH2 ARG 57 -7.546 -17.550 -0.314 396 H CYS 58 H CYS 58 -10.975 -9.664 -0.397 397 HA CYS 58 HA CYS 58 -11.333 -6.851 0.161 398 HB2 CYS 58 1HB CYS 58 -13.124 -9.033 -0.880 399 HB3 CYS 58 2HB CYS 58 -13.776 -7.463 -0.421 400 H ASP 59 H ASP 59 -11.118 -9.443 2.105 401 HA ASP 59 HA ASP 59 -13.265 -8.609 3.923 402 HB2 ASP 59 1HB ASP 59 -12.786 -11.082 3.198 403 HB3 ASP 59 2HB ASP 59 -11.516 -10.992 4.415 404 H ILE 60 H ILE 60 -9.834 -8.621 3.519 405 HA ILE 60 HA ILE 60 -9.104 -8.265 6.241 406 HB ILE 60 HB ILE 60 -7.610 -7.458 3.743 407 HG12 ILE 60 1HG1 ILE 60 -7.082 -9.873 5.460 408 HG13 ILE 60 2HG1 ILE 60 -8.241 -9.931 4.137 409 HG21 ILE 60 1HG2 ILE 60 -7.093 -6.876 6.465 410 HG22 ILE 60 2HG2 ILE 60 -5.905 -8.065 5.935 411 HG23 ILE 60 3HG2 ILE 60 -6.079 -6.543 5.061 412 HD11 ILE 60 1HD1 ILE 60 -5.299 -9.812 4.080 413 HD12 ILE 60 2HD1 ILE 60 -6.429 -10.627 2.999 414 HD13 ILE 60 3HD1 ILE 60 -6.149 -8.894 2.838 415 HA PRO 61 HA PRO 61 -10.473 -4.065 6.697 416 HB2 PRO 61 1HB PRO 61 -9.380 -3.656 9.148 417 HB3 PRO 61 2HB PRO 61 -10.854 -4.599 8.899 418 HG2 PRO 61 1HG PRO 61 -8.042 -5.547 9.292 419 HG3 PRO 61 2HG PRO 61 -9.543 -6.177 9.994 420 HD2 PRO 61 1HD PRO 61 -8.322 -7.347 7.880 421 HD3 PRO 61 2HD PRO 61 -10.084 -7.362 8.093 422 H GLU 62 H GLU 62 -9.546 -1.944 6.915 423 HA GLU 62 HA GLU 62 -7.039 -1.683 5.593 424 HB2 GLU 62 1HB GLU 62 -8.732 0.410 6.970 425 HB3 GLU 62 2HB GLU 62 -7.376 0.741 5.902 426 HG2 GLU 62 1HG GLU 62 -8.523 0.003 4.014 427 HG3 GLU 62 2HG GLU 62 -9.722 -0.866 4.970 428 H GLU 63 H GLU 63 -5.319 -0.171 6.474 429 HA GLU 63 HA GLU 63 -4.631 -1.070 9.175 430 HB2 GLU 63 1HB GLU 63 -2.334 -0.247 8.564 431 HB3 GLU 63 2HB GLU 63 -2.933 -1.576 7.581 432 HG2 GLU 63 1HG GLU 63 -3.308 -0.195 5.733 433 HG3 GLU 63 2HG GLU 63 -3.213 1.274 6.703 434 H THR 64 H THR 64 -6.520 1.138 8.552 435 HA THR 64 HA THR 64 -5.088 3.494 9.511 436 HB THR 64 HB THR 64 -7.596 4.398 9.327 437 HG1 THR 64 1HG THR 64 -8.404 3.269 7.324 438 HG21 THR 64 1HG2 THR 64 -7.043 5.272 7.190 439 HG22 THR 64 2HG2 THR 64 -5.973 3.916 6.834 440 HG23 THR 64 3HG2 THR 64 -5.520 5.100 8.060 441 H TRP 65 H TRP 65 -5.005 3.997 11.592 442 HA TRP 65 HA TRP 65 -7.021 2.833 13.398 443 HB2 TRP 65 1HB TRP 65 -5.231 3.219 15.177 444 HB3 TRP 65 2HB TRP 65 -4.918 1.940 14.007 445 HD1 TRP 65 HD TRP 65 -3.028 2.447 12.124 446 HE1 TRP 65 1HE TRP 65 -0.999 4.030 12.167 447 HE3 TRP 65 3HE TRP 65 -4.408 5.428 16.041 448 HZ2 TRP 65 2HZ TRP 65 -0.102 6.249 13.664 449 HZ3 TRP 65 3HZ TRP 65 -2.908 7.258 16.716 450 HH2 TRP 65 HH TRP 65 -0.800 7.659 15.551 451 H THR 66 H THR 66 -7.134 5.381 11.868 452 HA THR 66 HA THR 66 -7.775 7.105 14.141 453 HB THR 66 HB THR 66 -5.534 7.816 13.432 454 HG1 THR 66 1HG THR 66 -6.157 10.040 12.963 455 HG21 THR 66 1HG2 THR 66 -5.086 8.667 11.242 456 HG22 THR 66 2HG2 THR 66 -6.778 8.505 10.771 457 HG23 THR 66 3HG2 THR 66 -5.798 7.066 11.050 458 H GLY 67 H GLY 67 -9.564 8.357 13.845 459 HA2 GLY 67 1HA GLY 67 -10.871 9.620 12.084 460 HA3 GLY 67 2HA GLY 67 -10.905 8.085 11.228 461 H LEU 68 H LEU 68 -12.924 7.349 11.293 462 HA LEU 68 HA LEU 68 -14.532 7.739 13.698 463 HB2 LEU 68 1HB LEU 68 -15.431 8.262 11.430 464 HB3 LEU 68 2HB LEU 68 -15.340 6.543 11.053 465 HG LEU 68 HG LEU 68 -16.946 6.124 12.921 466 HD11 LEU 68 1HD1 LEU 68 -16.810 7.931 14.355 467 HD12 LEU 68 2HD1 LEU 68 -18.311 8.253 13.487 468 HD13 LEU 68 3HD1 LEU 68 -16.834 9.109 13.043 469 HD21 LEU 68 1HD2 LEU 68 -17.494 6.529 10.417 470 HD22 LEU 68 2HD2 LEU 68 -18.181 8.048 10.992 471 HD23 LEU 68 3HD2 LEU 68 -18.804 6.513 11.599 472 H GLU 69 H GLU 69 -13.331 5.130 11.623 473 HA GLU 69 HA GLU 69 -14.245 3.158 13.589 474 HB2 GLU 69 1HB GLU 69 -14.884 2.605 11.352 475 HB3 GLU 69 2HB GLU 69 -13.257 2.891 10.751 476 HG2 GLU 69 1HG GLU 69 -13.684 0.529 10.860 477 HG3 GLU 69 2HG GLU 69 -12.456 0.966 12.047
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